BDBM50336589 3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile::CHEMBL1672081

SMILES: Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1

InChI Key: InChIKey=CUHJCLMNTIZWTC-UHFFFAOYSA-N

Data: 2 KI

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 = 50336589   

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))	BDBM50336589 (3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...) Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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 Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50336589 (3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...) Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	382	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 Displacement of FAM-Bid from human Bcl-2 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair