| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052261
BDB052261
|
BDBM50315801
CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
|
C21H24N4O 348.450000 |
FHHGATHULHNWHK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315801; PubChem:CID16665626
|
Local ready
Direct docking supported
|
|
E3L052262
BDB052262
|
BDBM50315802
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12
|
C19H20N4O 320.396000 |
RJRQJZUWLRXDTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50315802; PubChem:CID16665466
|
Local ready
Direct docking supported
|
|
E3L052263
BDB052263
|
BDBM50315832
Cc1cc(N)cc(-c2ccc3[nH]nc(/C=C/c4cccc(CN5CCN(C)CC5)c4)c3c2C)c1
|
C29H33N5 451.618000 |
FMMQGWSMYANLDD-VQHVLOKHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315832; PubChem:CID46886395
|
Local ready
Direct docking supported
|
|
E3L052264
BDB052264
|
BDBM50315833
Cc1c(C#N)ccc2[nH]nc(/C=C/c3cccc(CN4CCN(C)CC4)c3)c12
|
C23H25N5 371.488000 |
XTWXMJDVQOEURD-SOFGYWHQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315833; PubChem:CID46886394
|
Local ready
Direct docking supported
|
|
E3L052265
BDB052265
|
1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfonamide
O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
|
C22H19N3O2S 389.480000 |
GCKBOFRETXSMFP-ACCUITESSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315834; PubChem:CID46886393
|
Local ready
Direct docking supported
|
|
E3L052266
BDB052266
|
BDBM50315835
COc1ccc(OC)c(CC(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2C)c1
|
C26H25N3O3 427.504000 |
KAHHZLXTLVPZAC-PKNBQFBNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315835; PubChem:CID46886392
|
Local ready
Direct docking supported
|
|
E3L052267
BDB052267
|
BDBM50315836
Cc1c(NC(=O)Cc2cccs2)ccc2[nH]nc(/C=C/c3cccc(CN4CCN(C)CC4)c3)c12
|
C28H31N5OS 485.657000 |
SCANZEHBHPIJEQ-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315836; PubChem:CID16730586
|
Local ready
Direct docking supported
|
|
E3L052268
BDB052268
|
BDBM50315837
CN1CCN(Cc2cccc(/C=C/c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1
|
C27H29N5OS 471.630000 |
PWZXORMRRWDONZ-VQHVLOKHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315837; PubChem:CID23583059
|
Local ready
Direct docking supported
|
|
E3L052269
BDB052269
|
BDBM50315838
Cc1cc2[nH]nc(/C=C/c3cccc(CN4CCN(C)CC4)c3)c2cc1NC(=O)Cc1cccs1
|
C28H31N5OS 485.657000 |
JNCRJZQZLMYLLM-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315838; PubChem:CID16730410
|
Local ready
Direct docking supported
|
|
E3L052270
BDB052270
|
BDBM50315839
Cc1cc2[nH]nc(/C=C/c3cccc(NC(=O)N4CCN(C)CC4)c3)c2cc1NC(=O)Cc1cccs1
|
C28H30N6O2S 514.655000 |
OUEYXPDIZLXCBG-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315839; PubChem:CID16730408
|
Local ready
Direct docking supported
|
|
E3L052271
BDB052271
|
BDBM50315840
O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1
|
C25H24N4OS 428.561000 |
BOWWSMXUIIXBOU-ZHACJKMWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315840; PubChem:CID16730664
|
Local ready
Direct docking supported
|
|
E3L052272
BDB052272
|
BDBM50315841
CN1CCN(C(=O)Nc2cccc(/C=C/c3n[nH]c4cc(N5CCCC5)c(NS(C)(=O)=O)cc34)c2)CC1
|
C26H33N7O3S 523.663000 |
OAIDOYYRSBXKJG-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315841; PubChem:CID16731303
|
Local ready
Direct docking supported
|
|
E3L052273
BDB052273
|
6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-amine
Nc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1
|
C19H20N4 304.397000 |
LCNZVWVKIFPDPM-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315842; PubChem:CID16730501
|
Local ready
Direct docking supported
|
|
E3L052274
BDB052274
|
5-nitro-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
O=[N+]([O-])c1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1
|
C19H18N4O2 334.379000 |
HBGNZQRVHBIHPS-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315843; PubChem:CID16730500
|
Local ready
Direct docking supported
|
|
E3L052275
BDB052275
|
BDBM50315844
C(=C\c1n[nH]c2cc(N3CCCC3)c(NCc3ccccn3)cc12)/c1ccccc1
|
C25H25N5 395.510000 |
AIQJXTOEZSDXHV-VAWYXSNFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315844; PubChem:CID16730666
|
Local ready
Direct docking supported
|
|
E3L052276
BDB052276
|
BDBM50315845
CN1CCN(c2cc3[nH]nc(/C=C/c4ccccc4)c3cc2NCc2ccccn2)CC1
|
C26H28N6 424.552000 |
RWWHTDBBMWURNC-ZHACJKMWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315845; PubChem:CID16730583
|
Local ready
Direct docking supported
|
|
E3L052277
BDB052277
|
BDBM50315846
C(=C\c1n[nH]c2cc(N3CCCC3)c(-c3ccncc3)cc12)/c1ccccc1
|
C24H22N4 366.468000 |
FHSKCOBLBQSSQE-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315846; PubChem:CID46886344
|
Local ready
Direct docking supported
|
|
E3L052278
BDB052278
|
BDBM50315847
Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
|
C22H17N3OS 371.465000 |
HFTUUUTZQAVFBK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315847; PubChem:CID46886343
|
Local ready
Direct docking supported
|
|
E3L052279
BDB052279
|
BDBM50315848
Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1cccs1
|
C22H19N3OS 373.481000 |
UDKDYWHGVWVLDY-MDZDMXLPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315848; PubChem:CID46886342
|
Local ready
Direct docking supported
|
|
E3L052280
BDB052280
|
BDBM50315849
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
|
C24H21N3O 367.452000 |
CIWJUMXZAYFUEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315849; PubChem:CID16070056
|
Local ready
Direct docking supported
|