BDBM50400761 CHEMBL2203589

SMILES: O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccc2)c2ccccn2c1=O

InChI Key: InChIKey=RNHAKLDOIWFCAG-AHWVRZQESA-N

Data: 1 IC50

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 = 50400761   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400761 (CHEMBL2203589) Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccc2)c2ccccn2c1=O |r| Show InChI InChI=1S/C29H32N4O3/c30-20-29(22-8-2-1-3-9-22)13-16-32(17-14-29)19-21-18-23(28(36)33-15-7-6-11-25(21)33)27(35)31-24-10-4-5-12-26(24)34/h1-3,6-9,11,15,18,24,26,34H,4-5,10,12-14,16-17,19H2,(H,31,35)/t24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human ERG				ACS Med Chem Lett 3: 1070-1074 (2012) Article DOI: 10.1021/ml300280g BindingDB Entry DOI: 10.7270/Q2X34ZM6
					More data for this Ligand-Target Pair