BDBM50181883 3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonylaminocarbonyl]biphenyl-4-yl}-N,N-dimethylpropionamide::CHEMBL382018

SMILES: COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=MZLVRSXAQZHURB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50181883   

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))	BDBM50181883 (3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethyla...) Show SMILES COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C33H34N4O7S2/c1-36(2)32(38)18-10-23-9-16-28(31(21-23)44-3)24-11-13-25(14-12-24)33(39)35-46(42,43)27-15-17-29(30(22-27)37(40)41)34-19-20-45-26-7-5-4-6-8-26/h4-9,11-17,21-22,34H,10,18-20H2,1-3H3,(H,35,39)	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	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50181883 (3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethyla...) Show SMILES COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C33H34N4O7S2/c1-36(2)32(38)18-10-23-9-16-28(31(21-23)44-3)24-11-13-25(14-12-24)33(39)35-46(42,43)27-15-17-29(30(22-27)37(40)41)34-19-20-45-26-7-5-4-6-8-26/h4-9,11-17,21-22,34H,10,18-20H2,1-3H3,(H,35,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl2 by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181883 (3-{2-methoxy-4'-[3-nitro-4-(2-phenylsulfanylethyla...) Show SMILES COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C33H34N4O7S2/c1-36(2)32(38)18-10-23-9-16-28(31(21-23)44-3)24-11-13-25(14-12-24)33(39)35-46(42,43)27-15-17-29(30(22-27)37(40)41)34-19-20-45-26-7-5-4-6-8-26/h4-9,11-17,21-22,34H,10,18-20H2,1-3H3,(H,35,39)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
					More data for this Ligand-Target Pair