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SMILES: Clc1cccc2n3CC\C(=C/N4CCCCC4)c3nc(=O)c12

InChI Key: InChIKey=SHUWLJLEGRFRMZ-VAWYXSNFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184978   
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
Protein polybromo-1


(Homo sapiens (Human))		BDBM50184978
PNG
(CHEMBL3823524)
Show SMILES Clc1cccc2n3CC\C(=C/N4CCCCC4)c3nc(=O)c12
Show InChI InChI=1S/C17H18ClN3O/c18-13-5-4-6-14-15(13)17(22)19-16-12(7-10-21(14)16)11-20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2/b12-11+
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 127n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...

J Med Chem 59: 5095-101 (2016)


BindingDB Entry DOI: 10.7270/Q22R3TKH
More data for this
Ligand-Target Pair