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BDBM50455500 CHEMBL4207924

SMILES: CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(c1)C(N)=O

InChI Key: InChIKey=LRSBCNAWSPLFLL-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50455500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50455500
PNG
(CHEMBL4207924)
Show SMILES CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H27N3O2/c1-3-23-17-28(16-19-8-5-4-6-9-19)25-15-21(12-13-24(25)29(23)18(2)30)20-10-7-11-22(14-20)26(27)31/h4-15,23H,3,16-17H2,1-2H3,(H2,27,31)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay


J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50455500
PNG
(CHEMBL4207924)
Show SMILES CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H27N3O2/c1-3-23-17-28(16-19-8-5-4-6-9-19)25-15-21(12-13-24(25)29(23)18(2)30)20-10-7-11-22(14-20)26(27)31/h4-15,23H,3,16-17H2,1-2H3,(H2,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay


J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair