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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain protein 4 bromodomain 1 (BRD4 BD1 N140A)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain protein 4 bromodomain 1 (BRD4 BD1 N140A)


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 448n/an/an/a7.525



Bayer HealthCare



Assay Description
For KD determinations, 10 nM JQ1-TAMRA probe was incubated in 384-well smallvolume black microtiter plates with serial (1:2) dilutions of each BRD4 v...


J Biol Chem 289: 9304-19 (2014)


Article DOI: 10.1074/jbc.M113.523019
BindingDB Entry DOI: 10.7270/Q2VQ31JB
More data for this
Ligand-Target Pair
Bromodomain protein 4 bromodomain 1 (BRD4 BD1 N140A)


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.60n/an/an/an/an/a



Bayer HealthCare



Assay Description
In a typical TSA, 0.4 μg of BRD4 BD1 protein were mixed with 5 Sypro Orange (Molecular Probe) and adjusted to a final volume of 5 μl with ...


J Biol Chem 289: 9304-19 (2014)


Article DOI: 10.1074/jbc.M113.523019
BindingDB Entry DOI: 10.7270/Q2VQ31JB
More data for this
Ligand-Target Pair