| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050781
BDB050781
|
BDBM50277584
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)[nH]n1
|
C21H25N7 375.480000 |
BLQYVHBZHAISJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277584; PubChem:CID49831008
|
Local ready
Direct docking supported
|
|
E3L050782
BDB050782
|
BDBM50277585
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
|
C20H18N6OS 390.472000 |
KHDLZWDZNAKTKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277585; PubChem:CID10200408
|
Local ready
Direct docking supported
|
|
E3L050783
BDB050783
|
BDBM50277586
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCCCC3)n2)cc1
|
C22H27N7OS 437.573000 |
FUIHJVJXGTVUJU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277586; PubChem:CID10252549
|
Local ready
Direct docking supported
|
|
E3L050784
BDB050784
|
BDBM50277614
Cc1nc2c(c(=O)[nH]1)CSCC2
|
C8H10N2OS 182.248000 |
HRYKZAKEAVZGJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50277614; PubChem:CID135522417
|
Local ready
Direct docking supported
|
|
E3L050785
BDB050785
|
BDBM50277637
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCOCC3)n2)cc1
|
C21H25N7O2S 439.545000 |
ANTUVUVMQSIJBS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277637; PubChem:CID10094732
|
Local ready
Direct docking supported
|
|
E3L050786
BDB050786
|
BDBM50277638
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCNCC3)n2)cc1
|
C21H26N8OS 438.561000 |
BRVRJAZHVITNIF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277638; PubChem:CID10388447
|
Local ready
Direct docking supported
|
|
E3L050787
BDB050787
|
BDBM50277639
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)cc1
|
C22H28N8OS 452.588000 |
LCQYMDMUCJFFKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277639; PubChem:CID10343860
|
Local ready
Direct docking supported
|
|
E3L050788
BDB050788
|
BDBM50277640
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(CC)CC3)n2)cc1
|
C23H30N8OS 466.615000 |
SUIPNNKRHBDYHW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277640; PubChem:CID10322308
|
Local ready
Direct docking supported
|
|
E3L050789
BDB050789
|
BDBM50277678
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C4CC4)CC3)n2)cc1
|
C24H30N8OS 478.626000 |
AYNBVKYDBZJRNM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277678; PubChem:CID10412796
|
Local ready
Direct docking supported
|
|
E3L050790
BDB050790
|
BDBM50277679
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C(C)(C)C)CC3)n2)cc1
|
C25H34N8OS 494.669000 |
XAQZJRAEQPCWMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277679; PubChem:CID10435854
|
Local ready
Direct docking supported
|
|
E3L050791
BDB050791
|
BDBM50277782
COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O
|
C24H23NO5S 437.517000 |
DAYKLWSKQJBGCS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50277782; PubChem:CID9910951
|
Local ready
Direct docking supported
|
|
E3L050792
BDB050792
|
BDBM50277783
CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O
|
C25H25NO5S 451.544000 |
FPFPBJJEDIYYGK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50277783; PubChem:CID18003447
|
Local ready
Direct docking supported
|
|
E3L050793
BDB050793
|
BDBM50277819
CCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O
|
C26H27NO5S 465.571000 |
NJKDMEJQXHMOJP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50277819; PubChem:CID10161996
|
Local ready
Direct docking supported
|
|
E3L050794
BDB050794
|
BDBM50277820
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(OCC(C)C)C(=O)O)c2sccc12
|
C27H29NO5S 479.598000 |
KQXDPYDFFKAXBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50277820; PubChem:CID18003618
|
Local ready
Direct docking supported
|
|
E3L050795
BDB050795
|
BDBM50277821
CCCCCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O
|
C29H33NO5S 507.652000 |
WPDWUPQOYHNKGO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50277821; PubChem:CID18003481
|
Local ready
Direct docking supported
|
|
E3L050796
BDB050796
|
BDBM50277822
COc1ccccc1-c1nc(CCOc2ccc(CC(OC)C(=O)O)c3sccc23)c(C)o1
|
C25H25NO6S 467.543000 |
FTOIHKCLBGVEEC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50277822; PubChem:CID44591655
|
Local ready
Direct docking supported
|
|
E3L050797
BDB050797
|
BDBM50277830
COc1cc2c(Nc3nc(C(=O)Nc4ccccc4)cs3)ncnc2cc1OCCCN1CCOCC1
|
C26H28N6O4S 520.615000 |
RIBFZRWGJCKRQH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277830; PubChem:CID44591670
|
Local ready
Direct docking supported
|
|
E3L050798
BDB050798
|
BDBM50277831
COc1cc2c(Nc3ccc(C(=O)Nc4ccccc4)s3)ncnc2cc1OCCCN1CCOCC1
|
C27H29N5O4S 519.627000 |
RPSFIQJOUUTWRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277831; PubChem:CID44591671
|
Local ready
Direct docking supported
|
|
E3L050799
BDB050799
|
BDBM50277832
COc1cc2c(Nc3ncc(C(=O)Nc4ccccc4)s3)ncnc2cc1OCCCN1CCOCC1
|
C26H28N6O4S 520.615000 |
ROGHHIGHHTZCFT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50277832; PubChem:CID44591672
|
Local ready
Direct docking supported
|
|
E3L050800
BDB050800
|
BDBM50277859
COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O
|
C26H25NO5 431.488000 |
HPYPAVJBAFUABQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50277859; PubChem:CID18003446
|
Local ready
Direct docking supported
|