BDBM50181868 CHEMBL434952::N-[4'-(3-hydroxypropyl)-2'-methoxybiphenyl-4-carbonyl]-3-nitro-4-(2-(phenylsulfanylethylamino)benzenesulfonamide

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

InChI Key: InChIKey=GGWKUJZJEAKEPL-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 = 50181868   

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))	BDBM50181868 (CHEMBL434952 | N-[4'-(3-hydroxypropyl)-2'-methoxyb...) Show SMILES COc1cc(CCCO)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H31N3O7S2/c1-41-30-20-22(6-5-18-35)9-15-27(30)23-10-12-24(13-11-23)31(36)33-43(39,40)26-14-16-28(29(21-26)34(37)38)32-17-19-42-25-7-3-2-4-8-25/h2-4,7-16,20-21,32,35H,5-6,17-19H2,1H3,(H,33,36)	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	22	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))	BDBM50181868 (CHEMBL434952 | N-[4'-(3-hydroxypropyl)-2'-methoxyb...) Show SMILES COc1cc(CCCO)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H31N3O7S2/c1-41-30-20-22(6-5-18-35)9-15-27(30)23-10-12-24(13-11-23)31(36)33-43(39,40)26-14-16-28(29(21-26)34(37)38)32-17-19-42-25-7-3-2-4-8-25/h2-4,7-16,20-21,32,35H,5-6,17-19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	721	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))	BDBM50181868 (CHEMBL434952 | N-[4'-(3-hydroxypropyl)-2'-methoxyb...) Show SMILES COc1cc(CCCO)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H31N3O7S2/c1-41-30-20-22(6-5-18-35)9-15-27(30)23-10-12-24(13-11-23)31(36)33-43(39,40)26-14-16-28(29(21-26)34(37)38)32-17-19-42-25-7-3-2-4-8-25/h2-4,7-16,20-21,32,35H,5-6,17-19H2,1H3,(H,33,36)	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	2.96E+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