BDBM139045 US8883784, 6

SMILES: CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1

InChI Key: InChIKey=DOAVVJUKGKSQQN-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 = 139045   

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))	BDBM139045 (US8883784, 6) Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C42H42N8O6S2/c1-48(2)24-9-23-43-34-20-19-31(26-36(34)50(53)54)58(55,56)47-41(52)39-30(17-16-28-10-4-3-5-11-28)18-21-38(45-39)49-25-22-29-12-8-13-32(33(29)27-49)40(51)46-42-44-35-14-6-7-15-37(35)57-42/h3-8,10-15,18-21,26,43H,9,16-17,22-25,27H2,1-2H3,(H,47,52)(H,44,46,51)	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	17	-10.6	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
					More data for this Ligand-Target Pair