BDBM50198440 CHEMBL3945847

SMILES: COc1ccc(cc1)C(C(CC#N)CC#N)c1ccccc1

InChI Key: InChIKey=RLGQCUBXTTYEJN-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50198440   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198440 (CHEMBL3945847) Show SMILES COc1ccc(cc1)C(C(CC#N)CC#N)c1ccccc1 Show InChI InChI=1S/C19H18N2O/c1-22-18-9-7-16(8-10-18)19(15-5-3-2-4-6-15)17(11-13-20)12-14-21/h2-10,17,19H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair