BDBM50067461 CHEMBL3401799

SMILES: COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1

InChI Key: InChIKey=ILOVQOYZWXOETN-KFTIAJENSA-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 = 50067461   

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))	BDBM50067461 (CHEMBL3401799) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C33H25BrN2O6S3/c1-42-32(39)25-15-13-24(14-16-25)23-11-7-22(8-12-23)20-29-31(38)36(33(43)44-29)28(19-21-9-17-26(34)18-10-21)30(37)35-45(40,41)27-5-3-2-4-6-27/h2-18,20,28H,19H2,1H3,(H,35,37)/b29-20-/t28-/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	460	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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