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SMILES: CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)C1=CCNCC1

InChI Key: InChIKey=GRXHTVINFFTUNX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50455512   
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))
BDBM50455512
PNG
(CHEMBL4206478)
Show SMILES CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)C1=CCNCC1 |t:25|
Show InChI InChI=1S/C24H29N3O/c1-3-22-17-26(16-19-7-5-4-6-8-19)24-15-21(20-11-13-25-14-12-20)9-10-23(24)27(22)18(2)28/h4-11,15,22,25H,3,12-14,16-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/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))
BDBM50455512
PNG
(CHEMBL4206478)
Show SMILES CCC1CN(Cc2ccccc2)c2cc(ccc2N1C(C)=O)C1=CCNCC1 |t:25|
Show InChI InChI=1S/C24H29N3O/c1-3-22-17-26(16-19-7-5-4-6-8-19)24-15-21(20-11-13-25-14-12-20)9-10-23(24)27(22)18(2)28/h4-11,15,22,25H,3,12-14,16-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+3n/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