BDBM50425954 CHEMBL2314377

SMILES: CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1

InChI Key: InChIKey=PAHSPAOJQGRWMK-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50425954   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50425954 (CHEMBL2314377) Show SMILES CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1 Show InChI InChI=1S/C17H18N2OS/c1-4-17(2,3)13-5-7-14(8-6-13)21-15-9-12(10-18)16(20)19-11-15/h5-9,11H,4H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay				Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50425954 (CHEMBL2314377) Show SMILES CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(c2)C#N)cc1 Show InChI InChI=1S/C17H18N2OS/c1-4-17(2,3)13-5-7-14(8-6-13)21-15-9-12(10-18)16(20)19-11-15/h5-9,11H,4H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay				Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC
					More data for this Ligand-Target Pair