BDBM139052 US8883784, 13

SMILES: CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=WRPSRMIRRUHFKL-UHFFFAOYSA-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 = 139052   

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))	BDBM139052 (US8883784, 13) Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C40H40N8O6S3/c1-46(2)22-9-21-41-31-18-17-28(24-33(31)48(51)52)57(53,54)45-38(50)36-35(19-16-26-10-4-3-5-11-26)56-40(43-36)47-23-20-27-12-8-13-29(30(27)25-47)37(49)44-39-42-32-14-6-7-15-34(32)55-39/h3-8,10-15,17-18,24,41H,9,16,19-23,25H2,1-2H3,(H,45,50)(H,42,44,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-12.4	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US8883784 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KWT
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