| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055261
BDB055261
|
BDBM50406813
Cc1noc(C)c1-c1ccc2c(c1)OC(c1ccccc1)C(=O)N2
|
C19H16N2O3 320.348000 |
CFEPMQSRXBRVHM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406813; PubChem:CID145959505
|
Local ready
Direct docking supported
|
|
E3L055262
BDB055262
|
BDBM50406815
CCN1C(=O)[C@@H](CC2CC2)Oc2cc(-c3c(C)noc3C)ccc21
|
C19H22N2O3 326.396000 |
DMPTWBYHBZUWMB-QGZVFWFLSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406815; PubChem:CID145953663
|
Local ready
Direct docking supported
|
|
E3L055263
BDB055263
|
BDBM50406825
Cc1noc(C)c1-c1ccc2c(c1)OC(c1ccccc1F)C(=O)N2
|
C19H15FN2O3 338.338000 |
CBMLEDNBJXYMIV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406825; PubChem:CID145956492
|
Local ready
Direct docking supported
|
|
E3L055264
BDB055264
|
BDBM50406833
Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CC1)C(=O)N2CCN1CCOCC1
|
C23H29N3O4 411.502000 |
YFSKCCISVWNMIQ-OAQYLSRUSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406833; PubChem:CID145971523
|
Local ready
Direct docking supported
|
|
E3L055265
BDB055265
|
BDBM50407070
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
|
C39H63N5O5 681.963000 |
KSTOBDMSDPHGEE-LREHCXSPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407070
|
Local ready
Direct docking supported
|
|
E3L055266
BDB055266
|
BDBM50407071
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C)[C@@H](C)CC
|
C31H59N3O6 569.828000 |
QCJGETVAMMABIO-XFNMXBBLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407071
|
Local ready
Direct docking supported
|
|
E3L055267
BDB055267
|
BDBM50407074
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
|
C38H61N5O6S 716.002000 |
ULOCIXFRXPKOGB-LREHCXSPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407074
|
Local ready
Direct docking supported
|
|
E3L055268
BDB055268
|
BDBM50407075
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C
|
C36H58N4O6 642.882000 |
QPHBZNSUEDRPBX-TYOPREAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407075
|
Local ready
Direct docking supported
|
|
E3L055269
BDB055269
|
Boc-Cha-Ile-Sta-NHiBu
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCC(C)C
|
C32H60N4O6 596.854000 |
HFWXMIVGMOQFCK-FVCDFAAQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50407076; PubChem:CID71452682
|
Local ready
Direct docking supported
|
|
E3L055270
BDB055270
|
Boc-Ile-Ile-Sta(3xi,4S)-NHiBu
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC(C)C)[C@@H](C)CC
|
C29H56N4O6 556.789000 |
NDYYXVKIFGODKU-RCWCPIMJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50407078; PubChem:CID71454451
|
Local ready
Direct docking supported
|
|
E3L055271
BDB055271
|
Boc-Cha-Ile-Sta(3xi,4S)-OH
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)O
|
C28H51N3O7 541.730000 |
QIOMPQZQWLOGOE-JUQSBVICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50407079; PubChem:CID71461611
|
Local ready
Direct docking supported
|
|
E3L055272
BDB055272
|
BDBM50407080
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
|
C38H59N3O6 653.905000 |
WOTVFZVYVNFVGQ-AGKYWFPGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407080
|
Local ready
Direct docking supported
|
|
E3L055273
BDB055273
|
BDBM50407085
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@H](C(=O)O)C(C)C
|
C38H59N5O8 713.917000 |
WRNYZKXDJHJYDF-BMNPDWMFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407085
|
Local ready
Direct docking supported
|
|
E3L055274
BDB055274
|
BDBM50407087
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccn1
|
C35H59N5O6 645.886000 |
QZHUFCAPALTNSM-LRLYEUBCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50407087
|
Local ready
Direct docking supported
|
|
E3L055275
BDB055275
|
BDBM50407239
CC1(C)OB(c2ccc(COn3c(C(=O)NCc4ccc(-c5ccccc5)cc4)cccc3=O)cc2)OC1(C)C
|
C32H33BN2O5 536.437000 |
CDAORYDEXZVXAW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50407239; PubChem:CID49804610
|
Local ready
Direct docking supported
|
|
E3L055276
BDB055276
|
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1
|
C18H20N2O2S 328.437000 |
ZFOMCSNUEHMROO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50407809; PubChem:CID53390843
|
Local ready
Direct docking supported
|
|
E3L055277
BDB055277
|
KW-2450 free base
Cc1ccsc1C(=O)Nc1cc(CN2CCN(C(=O)CO)CC2)ccc1/C=C/c1n[nH]c2ccccc12
|
C28H29N5O3S 515.639000 |
HHCSNTXVZDWIGT-CMDGGOBGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50407812; PubChem:CID54771494
|
Local ready
Direct docking supported
|
|
E3L055278
BDB055278
|
5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
COc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)cc12
|
C17H15NO2 265.312000 |
RJVXWJADDFXFIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50407965; PubChem:CID76284556
|
Local ready
Direct docking supported
|
|
E3L055279
BDB055279
|
4-Chlorodibenzofuran
Clc1cccc2c1oc1ccccc12
|
C12H7ClO 202.640000 |
RHRYBWFAHXCUCR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408289; PubChem:CID53154
|
Local ready
Direct docking supported
|
|
E3L055280
BDB055280
|
1,2,3,4,7,8-Hexachlorodibenzofuran
Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl
|
C12H2Cl6O 374.865000 |
LVYBAQIVPKCOEE-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408291; PubChem:CID51130
|
Local ready
Direct docking supported
|