Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]' and Ligand = 'BDBM362660' 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 [342-460]
(Homo sapiens (Human)) | BDBM362660
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | 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 | |
Bromodomain-containing protein 4 [342-460]
(Homo sapiens (Human)) | BDBM362660
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23 |(-5.87,7.55,;-4.33,7.55,;-3.56,6.21,;-4.33,4.88,;-2.02,6.21,;-1.25,7.55,;-1.25,4.88,;-2.02,3.55,;-1.25,2.21,;.29,2.21,;1.06,3.55,;.29,4.88,;1.06,.88,;2.6,.88,;3.16,-.56,;4.49,-1.33,;4.49,-2.87,;3.16,-3.64,;3.16,-5.18,;1.91,-6.08,;.45,-5.61,;2.39,-7.55,;3.93,-7.55,;4.41,-6.08,;5.87,-5.61,;1.83,-2.87,;.49,-3.64,;-.84,-2.87,;-.84,-1.33,;-2.17,-.56,;-3.51,-1.33,;-4.84,-.56,;-4.84,.98,;-3.51,1.75,;-2.17,.98,;.49,-.56,;1.83,-1.33,)| Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3 | 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 | |
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