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BDBM50440716 CHEMBL2431080

SMILES: Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1C

InChI Key: InChIKey=MCCFTCOHZYUCJM-HNNXBMFYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440716   
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))
BDBM50440716
PNG
(CHEMBL2431080)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1C |r,c:10|
Show InChI InChI=1S/C21H20ClN3O2S/c1-9-7-13(22)5-6-14(9)19-17-10(2)12(4)28-21(17)18-11(3)25-27-20(18)15(24-19)8-16(23)26/h5-7,15H,8H2,1-4H3,(H2,23,26)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/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))
BDBM50440716
PNG
(CHEMBL2431080)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1C |r,c:10|
Show InChI InChI=1S/C21H20ClN3O2S/c1-9-7-13(22)5-6-14(9)19-17-10(2)12(4)28-21(17)18-11(3)25-27-20(18)15(24-19)8-16(23)26/h5-7,15H,8H2,1-4H3,(H2,23,26)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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