BDBM50067454 CHEMBL3401802

SMILES: Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1

InChI Key: InChIKey=BJRJXKGVHIMLKX-MNRBYUMSSA-N

Data: 1 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 1 hit for monomerid = 50067454   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067454 (CHEMBL3401802) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H24ClN3O4S3/c34-25-16-14-23(15-17-25)22-12-10-21(11-13-22)18-30-32(39)37(33(42)43-30)29(19-24-20-35-28-9-5-4-8-27(24)28)31(38)36-44(40,41)26-6-2-1-3-7-26/h1-18,20,29,35H,19H2,(H,36,38)/b30-18-/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
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