| 1 |
CDK2_01_005195 |
Nc1ccc(-c2nc(O)c3c(n2)c(-c2ccc(N)cc2)nc2ccccc23)cc1 |
| 2 |
CDK2_02_000042 |
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc21 |
| 3 |
CDK2_02_000349 |
CCc1cnn2c(NCc3cccnc3)cc(N3CCCCC3CCO)nc12 |
| 4 |
CDK2_02_000330 |
CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc21 |
| 5 |
CDK2_01_008148 |
Nc1c(S(=O)(=O)O)cc(Nc2cccc(C(F)(F)F)c2)c2c1C(O)c1ccccc1C2O |
| 6 |
CDK2_02_000405 |
CCCCNC(=O)N1CCc2[nH]nc(NC(=O)Cc3ccc4ccccc4c3)c2C1 |
| 7 |
CDK2_02_000037 |
CCc1cnn2c(NCc3cccnc3)cc(C3CCCCC3CCO)nc12 |
| 8 |
CDK2_02_000486 |
CCC(Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2ncn(C(C)C)c2n1)C(C)O |
| 9 |
CDK2_02_001543 |
CC(C)n1cnc2c(NCc3cccc(CCC(N)O)c3)nc(N3CCOCC3)nc21 |
| 10 |
CDK2_02_000096 |
CC(C)c1cnn2c(NCc3ccccc3)cc(NC(CO)C(O)CO)nc12 |
| 11 |
CDK2_02_000393 |
CCn1cnc2c(NCc3cccc(CCC(N)O)c3)nc(N3CCOCC3)nc21 |
| 12 |
CDK2_02_001462 |
CCC(Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)C(C)O |
| 13 |
CDK2_01_004685 |
Cc1ccc(Cn2c(C(C)N=C(N)c3ccccc3)nc3ccccc32)cc1 |
| 14 |
CDK2_02_000277 |
CCC(O)C(CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |
| 15 |
CDK2_01_006209 |
Nc1nc(O)c2ncn(C3CCN(C(=O)CP(=O)(O)O)C3)c2n1 |
| 16 |
CDK2_02_000353 |
Cc1cnn2c(NCc3cccnc3)cc(N3CCCCC3CCO)nc12 |
| 17 |
CDK2_01_008093 |
CCc1nn(-c2c(N)cc(N)cc2N)c2nc(Cc3cccc(O)c3)nc(O)c12 |
| 18 |
CDK2_02_001168 |
CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)O |
| 19 |
CDK2_02_000458 |
CCC(Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |
| 20 |
CDK2_02_000519 |
CCC(CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |
| 21 |
CDK2_02_000946 |
NCC[SH](O)c1cc(-c2ccccn2)c2c3c(ccc(F)c13)NC2O |
| 22 |
CDK2_02_000959 |
NC(=O)C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)[nH]n1 |
| 23 |
CDK2_02_001524 |
CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |
| 24 |
CDK2_02_001004 |
CCCCNC(=O)N1CCc2[nH]nc(NC(=O)Cc3ccccc3F)c2C1 |
| 25 |
CDK2_01_000146 |
CCn1cnc2c(Nc3ccc(CC(=O)NC(N)N)cc3)nc(C)nc21 |
| 26 |
CDK2_02_000996 |
COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1 |
| 27 |
CDK2_02_000272 |
CC(C)c1cnn2c(Nc3cccc(N)c3)nc(NC(CO)C(C)C)nc12 |
| 28 |
CDK2_02_000430 |
CNC1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)CC1 |
| 29 |
CDK2_01_006009 |
CC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)CC1n1cnc2c(O)nc(N)nc21 |
| 30 |
CDK2_02_000987 |
CCC(Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)C(C)O |
| 31 |
CDK2_02_001174 |
CC(O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |
| 32 |
CDK2_02_001204 |
CC(C)COc1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(C(C)C)c2n1 |
| 33 |
CDK2_02_000679 |
Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3F)nc12 |
| 34 |
CDK2_02_000406 |
NC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 35 |
CDK2_02_001056 |
CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12 |
| 36 |
CDK2_02_000674 |
NC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 37 |
CDK2_02_000590 |
NC(=O)N1CCc2[nH]nc(NC(=O)Cc3ccccc3)c2C1 |
| 38 |
CDK2_01_002523 |
Cc1cc(C(N)N2CCc3c(n(Cc4ccc(N)cc4)c4ccccc34)C2)ccc1N |
| 39 |
CDK2_02_001515 |
CCC(Nc1nc(NCc2cccc(N)c2)c2ncn(C(C)C)c2n1)C(C)O |
| 40 |
CDK2_02_000543 |
CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(NC3CCC(N)CC3)nc12 |
| 41 |
CDK2_01_005127 |
NCC(O)CNC(=O)c1cccc(-c2ccc(F)c3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1 |
| 42 |
CDK2_02_000258 |
CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(N3CCCCC3CCO)nc21 |
| 43 |
CDK2_01_006608 |
COc1ccc(CNc2nc(NCCO)nc3c2ncn3C(C)C)cc1 |
| 44 |
CDK2_01_000872 |
Oc1cc(C(O)NCCNCC(O)C(F)(F)F)nc2c1c(-c1ccccc1)c(O)n2Cc1ccccc1 |
| 45 |
CDK2_02_000021 |
CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 |
| 46 |
CDK2_02_000613 |
CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |
| 47 |
CDK2_02_000390 |
Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1 |
| 48 |
CDK2_02_000288 |
CC(O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |
| 49 |
CDK2_02_000210 |
CC(C)C(CO)Nc1nc(Nc2cccc(N)c2)c2ncn(C(C)C)c2n1 |
| 50 |
CDK2_01_001468 |
Cc1cc(-c2ccnc(Nc3cnc4c(c3)CNC4)n2)cnc1N1CCC(F)C1 |
| 51 |
CDK2_02_000727 |
CC(C)NC(=O)N1CCc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1 |
| 52 |
CDK2_02_001272 |
CNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 53 |
CDK2_02_000883 |
CC(O)C(C)Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F |
| 54 |
CDK2_01_003983 |
CCOc1ccc(-n2nnc(-c3ccccc3NC(O)c3ccc(NO)cc3)n2)cc1 |
| 55 |
CDK2_02_000397 |
c1ccc(Nc2ncc3c(n2)CCc2cnc(Nc4ccccc4)nc2-3)cc1 |
| 56 |
CDK2_01_006662 |
CCCc1cccc(-c2cc(NC(=O)C3CNC(O)C3)nnc2C(F)(F)F)c1 |
| 57 |
CDK2_01_005374 |
Cc1cncc(-n2ncc3ccc(-c4cccc(NC(C)O)c4)cc32)n1 |
| 58 |
CDK2_01_007623 |
NC(=O)C(CCCNC(N)N)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(N)cc1N |
| 59 |
CDK2_01_007227 |
CCCC(=O)Nc1nc(Nc2cccc(-c3ncccn3)c2)c2ncn(C(C)C)c2n1 |
| 60 |
CDK2_02_000612 |
COc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C1CCCC1 |
| 61 |
CDK2_02_001490 |
CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(OC3CCC(N)CC3)nc12 |
| 62 |
CDK2_01_006887 |
CNc1ccc(-c2cccc(C)c2-c2cc(NC)c(NC)c(NC)c2)cc1O |
| 63 |
CDK2_02_001270 |
CCN(CC)Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 |
| 64 |
CDK2_02_000668 |
CCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 65 |
CDK2_01_004158 |
O=C(c1ccc2nc(NC(O)C(F)(F)F)cn2c1)c1ccc2ccccc2n1 |
| 66 |
CDK2_02_000206 |
CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |
| 67 |
CDK2_02_001438 |
CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(N)c(S(=O)(=O)NC)c4)n3)ccn2)cc1 |
| 68 |
CDK2_02_000398 |
CCC(Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)C(C)O |
| 69 |
CDK2_02_001329 |
NC(=O)c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1 |
| 70 |
CDK2_02_001000 |
CCC(CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |
| 71 |
CDK2_02_000525 |
Cc1cnn2c(NCc3ccncc3)cc(-c3ccccc3F)nc12 |
| 72 |
CDK2_02_001516 |
COCC(C)Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F |
| 73 |
CDK2_02_000286 |
CC(O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 74 |
CDK2_02_000515 |
O=C1Nc2ccc(F)c3c(SC4CCNC4)cc(-c4ccccn4)c1c23 |
| 75 |
CDK2_02_000623 |
Nc1ccccc1Nc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F |
| 76 |
CDK2_02_000064 |
CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(C)c(S(=O)(=O)NC)c4)n3)ccn2)cc1 |
| 77 |
CDK2_01_000471 |
Cc1c(N)nc(N)nc1NC(C)c1c2cccc(N)c2c(O)n1-c1ccc(N)nc1 |
| 78 |
CDK2_01_002999 |
CN(C)CCN1C(=O)c2cccc3cc(NCc4cccs4)cc(c23)C1O |
| 79 |
CDK2_02_000979 |
CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F |
| 80 |
CDK2_02_000414 |
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc21 |
| 81 |
CDK2_01_004030 |
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(CCO)CC3)n2)on1 |
| 82 |
CDK2_02_000167 |
NS(=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1 |
| 83 |
CDK2_02_000789 |
CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| 84 |
CDK2_02_000690 |
CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc21 |
| 85 |
CDK2_01_009250 |
NC(CO)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12 |
| 86 |
CDK2_01_001475 |
CC(N)CCc1[nH]c2ccccc2c1C(N)c1cc(N)c(N)c(N)c1 |
| 87 |
CDK2_02_000598 |
Cc1cnn2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)cc(NC3CCC(N)CC3)nc12 |
| 88 |
CDK2_02_001359 |
CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(N)=O)cc3)nc1-2 |
| 89 |
CDK2_02_000011 |
Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C |
| 90 |
CDK2_02_000347 |
NS(=O)(=O)c1ccc(NNc2c(O)cnc3ccc4[nH]ncc4c23)cc1 |
| 91 |
CDK2_02_000924 |
CC(Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F)C(C)(C)O |
| 92 |
CDK2_02_000379 |
CC(C)C(CO)Nc1nc(Nc2ccc(C(=O)O)c(N)c2)c2ncn(C(C)C)c2n1 |
| 93 |
CDK2_02_000926 |
CCC(Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)C(C)O |
| 94 |
CDK2_02_000524 |
CSc1ncc2c(n1)CCc1cnc(Nc3ccc(N)cc3)nc1-2 |
| 95 |
CDK2_01_000530 |
CCc1nn(-c2c(N)cc(N)cc2N)c2nc(Cc3cccc(N)c3C)nc(O)c12 |
| 96 |
CDK2_02_000224 |
Nc1cnn2c(NCc3cccnc3)cc(-c3ccccc3F)nc12 |
| 97 |
CDK2_02_001476 |
Cc1nc(N(C)C)sc1-c1ccnc(Nc2cccc(NO)c2)n1 |
| 98 |
CDK2_01_004824 |
Cc1nc(O)c2sc3nc4ccccc4n3c2n1 |
| 99 |
CDK2_02_001463 |
Cc1c(Nc2ncc(N)c(-c3cnc4ccccn34)n2)cnn1C1CCNCC1 |
| 100 |
CDK2_02_000683 |
Fc1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12 |
Datasets
Models
