Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50544608' 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
(Homo sapiens (Human)) | BDBM50544608
(CHEMBL4642291)Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC[C@@H]4CCNC4)cc23)n(C)c1=O |r,wD:26.27,(7.59,-49.12,;9.09,-48.79,;9.56,-47.33,;11.07,-47.01,;11.54,-45.55,;10.51,-44.4,;8.99,-44.73,;8.53,-46.2,;10.13,-49.93,;9.81,-51.43,;11.14,-52.19,;11.16,-53.74,;9.82,-54.52,;8.49,-53.75,;7.16,-54.53,;5.82,-53.76,;4.49,-54.52,;3.08,-53.89,;2.76,-52.39,;2.05,-55.04,;2.82,-56.37,;4.32,-56.05,;5.47,-57.08,;5.82,-52.21,;4.49,-51.44,;4.49,-49.9,;3.15,-49.13,;1.75,-49.76,;.72,-48.61,;1.49,-47.28,;2.99,-47.6,;7.15,-51.44,;8.49,-52.21,;12.28,-51.17,;13.79,-51.48,;11.65,-49.77,;12.42,-48.43,)| Show InChI InChI=1S/C28H30N6O3/c1-16-26(18(3)37-32-16)21-11-23-20(12-25(21)36-15-19-8-10-29-13-19)27-24(14-31-23)33(4)28(35)34(27)17(2)22-7-5-6-9-30-22/h5-7,9,11-12,14,17,19,29H,8,10,13,15H2,1-4H3/t17?,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher... |
J Med Chem 63: 9020-9044 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00566
BindingDB Entry DOI: 10.7270/Q2348Q0N |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50544608
(CHEMBL4642291)Show SMILES CC(c1ccccn1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC[C@@H]4CCNC4)cc23)n(C)c1=O |r,wD:26.27,(7.59,-49.12,;9.09,-48.79,;9.56,-47.33,;11.07,-47.01,;11.54,-45.55,;10.51,-44.4,;8.99,-44.73,;8.53,-46.2,;10.13,-49.93,;9.81,-51.43,;11.14,-52.19,;11.16,-53.74,;9.82,-54.52,;8.49,-53.75,;7.16,-54.53,;5.82,-53.76,;4.49,-54.52,;3.08,-53.89,;2.76,-52.39,;2.05,-55.04,;2.82,-56.37,;4.32,-56.05,;5.47,-57.08,;5.82,-52.21,;4.49,-51.44,;4.49,-49.9,;3.15,-49.13,;1.75,-49.76,;.72,-48.61,;1.49,-47.28,;2.99,-47.6,;7.15,-51.44,;8.49,-52.21,;12.28,-51.17,;13.79,-51.48,;11.65,-49.77,;12.42,-48.43,)| Show InChI InChI=1S/C28H30N6O3/c1-16-26(18(3)37-32-16)21-11-23-20(12-25(21)36-15-19-8-10-29-13-19)27-24(14-31-23)33(4)28(35)34(27)17(2)22-7-5-6-9-30-22/h5-7,9,11-12,14,17,19,29H,8,10,13,15H2,1-4H3/t17?,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri... |
J Med Chem 63: 9020-9044 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00566
BindingDB Entry DOI: 10.7270/Q2348Q0N |
More data for this
Ligand-Target Pair | |
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