Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [42-168]' and Ligand = 'BDBM362659' 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 [42-168]
(Homo sapiens (Human)) | BDBM362659
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
US Patent
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
US Patent US9834565 (2017)
BindingDB Entry DOI: 10.7270/Q29P33XS |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [42-168]
(Homo sapiens (Human)) | BDBM362659
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.44,;-5.1,6.11,;-3.56,6.11,;-3.56,7.65,;-3.56,4.57,;-2.02,6.11,;-1.25,4.78,;-2.02,3.44,;-1.25,2.11,;.29,2.11,;1.06,3.44,;.29,4.78,;1.06,.77,;2.6,.77,;3.16,-.66,;4.49,-1.43,;4.49,-2.97,;3.16,-3.74,;3.16,-5.28,;1.91,-6.18,;.45,-5.71,;2.39,-7.65,;3.93,-7.65,;4.41,-6.18,;5.87,-5.71,;1.83,-2.97,;.49,-3.74,;-.84,-2.97,;-.84,-1.43,;-2.17,-.66,;-3.51,-1.43,;-4.84,-.66,;-4.84,.88,;-3.51,1.65,;-2.17,.88,;.49,-.66,;1.83,-1.43,)| Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)30-18-10-13-31(14-11-18)26-28-21-9-8-19(23-16(2)29-36-17(23)3)25-24(21)32(26)22(15-35-25)20-7-5-6-12-27-20/h5-9,12,18,22,30H,4,10-11,13-15H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib... |
J Med Chem 51: 1904-12 (2008)
BindingDB Entry DOI: 10.7270/Q2D50Q7W |
More data for this
Ligand-Target Pair | |
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