Found 12 hits Enz. Inhib. hit(s) with all data for entry = 11691 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM50539805
(CHEMBL4644032 | US11840533, Compound 72)Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM50539804
(CHEMBL4640025 | US11840533, Compound 71)Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM50539804
(CHEMBL4640025 | US11840533, Compound 71)Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM50539805
(CHEMBL4644032 | US11840533, Compound 72)Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM640358
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c(O)nccc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM640357
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM640357
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM640356
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [75-147]
(Homo sapiens (Human)) | BDBM640356
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [368-440]
(Homo sapiens (Human)) | BDBM640358
(N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c(O)nccc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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