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BDBM50440728 CHEMBL2431089

SMILES: Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1

InChI Key: InChIKey=CJTVZWXEXYPYBQ-AGDOHHJYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440728   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440728
PNG
(CHEMBL2431089)
Show SMILES Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1/C24H25ClN2O3S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(28)29-24(4,5)6)22-20(23)13(2)27-30-22/h7-10,17H,11H2,1-6H3/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA


ACS Med Chem Lett 4: 835-40 (2013)


Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50440728
PNG
(CHEMBL2431089)
Show SMILES Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
Show InChI InChI=1/C24H25ClN2O3S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(28)29-24(4,5)6)22-20(23)13(2)27-30-22/h7-10,17H,11H2,1-6H3/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs


ACS Med Chem Lett 4: 835-40 (2013)


Article DOI: 10.1021/ml4001485
BindingDB Entry DOI: 10.7270/Q2DV1MB8
More data for this
Ligand-Target Pair