BDBM50141396 (Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(1-hydroxy-2-phenyl-ethyl)-phenyl]-acrylonitrile::CHEMBL34436

SMILES: Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)Cc1ccccc1

InChI Key: InChIKey=OYFSTNNYGBPXMS-UHFFFAOYSA-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 = 50141396   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141396 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(1-hyd...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)Cc1ccccc1 Show InChI InChI=1S/C23H21N3OS/c24-15-19(23(26)28-22-12-5-4-11-20(22)25)17-9-6-10-18(14-17)21(27)13-16-7-2-1-3-8-16/h1-12,14,19,21,26-27H,13,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair