| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050501
BDB050501
|
BDBM50269541
COc1ccc(NC(=S)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
|
C22H22ClN3O5S3 540.088000 |
CWFQRTUSNMTBNB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269541; PubChem:CID44565169
|
Local ready
Direct docking supported
|
|
E3L050502
BDB050502
|
BDBM50269542
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
|
C28H29N5O5S2 579.704000 |
SIQDOIIMXLGZCK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269542; PubChem:CID24210649
|
Local ready
Direct docking supported
|
|
E3L050503
BDB050503
|
BDBM50269543
COc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc3ccccc3c2=O)cc1
|
C30H31N5O6S2 621.741000 |
VJWBSFQBXSDGOR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269543; PubChem:CID132609297
|
Local ready
Direct docking supported
|
|
E3L050504
BDB050504
|
BDBM50269548
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1
|
C28H29N5O6S2 595.703000 |
XSEVZDJPQQSGDW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269548; PubChem:CID132609298
|
Local ready
Direct docking supported
|
|
E3L050505
BDB050505
|
BDBM50269549
Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
C24H27N5O5S 497.577000 |
MDVKCBDEVDFHHM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269549; PubChem:CID132609300
|
Local ready
Direct docking supported
|
|
E3L050506
BDB050506
|
BDBM50269550
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1
|
C22H25N5O5S 471.539000 |
ZXBMQWSCGROWJY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269550; PubChem:CID132609302
|
Local ready
Direct docking supported
|
|
E3L050507
BDB050507
|
BDBM50269551
CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
C25H29N5O5S 511.604000 |
PXNTUWQTFIZMTI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269551; PubChem:CID132609303
|
Local ready
Direct docking supported
|
|
E3L050508
BDB050508
|
BDBM50269552
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1
|
C23H27N5O5S 485.566000 |
HHYAHXIELZXJGT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269552; PubChem:CID137646175
|
Local ready
Direct docking supported
|
|
E3L050509
BDB050509
|
BDBM50269553
Cc1nc2ccc(Br)cc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
|
C24H26BrN5O5S 576.473000 |
CMGZEJNPMZYCRI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269553; PubChem:CID132609301
|
Local ready
Direct docking supported
|
|
E3L050510
BDB050510
|
BDBM50269846
CCNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
|
C28H35F2N7O2 539.631000 |
NHCUKXZPSAUWQU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269846; PubChem:CID137647118
|
Local ready
Direct docking supported
|
|
E3L050511
BDB050511
|
Gne-781
CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
|
C27H33F2N7O2 525.604000 |
CQCWHSDMJBAGDC-UHFFFAOYSA-N | Q09472, Q12830, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase KAT2B, Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50269847; PubChem:CID132275066
|
Local ready
Direct docking supported
|
|
E3L050512
BDB050512
|
BDBM50269848
Cn1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(N)=O)CC4)CCC3)cn1
|
C26H31F2N7O2 511.577000 |
UZNAWORAPXOQDJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269848
|
Local ready
Direct docking supported
|
|
E3L050513
BDB050513
|
Gne-049
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
|
C27H32F2N6O2 510.589000 |
LWXLECMNBTVASW-UHFFFAOYSA-N | Q09472, Q12830, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase p300, Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50269849; PubChem:CID121373418
|
Local ready
Direct docking supported
|
|
E3L050514
BDB050514
|
BDBM50269850
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2[C@H]2CCOC2)C1
|
C26H30F2N6O2 496.562000 |
FLTYKXCCCAPRLV-IBGZPJMESA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269850
|
Local ready
Direct docking supported
|
|
E3L050515
BDB050515
|
BDBM50269851
COc1cc2c(cc1-c1cnn(C)c1)CCCN2c1nn([C@H]2CCOC2)c2c1CN(C(C)=O)CC2
|
C26H32N6O3 476.581000 |
CFPOFCVHWUBDFT-FQEVSTJZSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269851; PubChem:CID121373072
|
Local ready
Direct docking supported
|
|
E3L050516
BDB050516
|
BDBM50269852
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)nn2[C@H]2CCOC2)C1
|
C26H32N6O2 460.582000 |
LNXHPKSRUBGMFK-NRFANRHFSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269852; PubChem:CID121372914
|
Local ready
Direct docking supported
|
|
E3L050517
BDB050517
|
BDBM50269853
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1
|
C25H30N6O2 446.555000 |
OTJPVMSGEHNVNV-NRFANRHFSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269853; PubChem:CID121372939
|
Local ready
Direct docking supported
|
|
E3L050518
BDB050518
|
BDBM50269854
CNC(=O)N1C[C@@H](C)Oc2cc(C)ccc21
|
C12H16N2O2 220.272000 |
FWSAWLIRIYMUOD-SECBINFHSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50269854; PubChem:CID95991007
|
Local ready
Direct docking supported
|
|
E3L050519
BDB050519
|
BDBM50269855
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCS(=O)(=O)CC2)C1
|
C27H32F2N6O3S 558.655000 |
WVCRGWDRUUPDIV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269855
|
Local ready
Direct docking supported
|
|
E3L050520
BDB050520
|
BDBM50269856
CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCN(S(C)(=O)=O)CC2)C1
|
C28H35F2N7O3S 587.697000 |
PLNZFWUVRPZNHG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50269856
|
Local ready
Direct docking supported
|