BDBM50181872 4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutylamino)-N-[2'-methoxy-4'-(3-morpholin-4-ylpropyl)biphenyl-4-carbonyl]-3-nitrobenzenesulfonamide::CHEMBL382648

SMILES: COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=OVYKEJLIVZMZRM-MGBGTMOVSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50181872   

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))	BDBM50181872 (4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C40H49N5O7S2/c1-43(2)21-8-10-33(29-53-34-11-5-4-6-12-34)41-37-20-18-35(28-38(37)45(47)48)54(49,50)42-40(46)32-16-14-31(15-17-32)36-19-13-30(27-39(36)51-3)9-7-22-44-23-25-52-26-24-44/h4-6,11-20,27-28,33,41H,7-10,21-26,29H2,1-3H3,(H,42,46)/t33-/m1/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	0.900	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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181872 (4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C40H49N5O7S2/c1-43(2)21-8-10-33(29-53-34-11-5-4-6-12-34)41-37-20-18-35(28-38(37)45(47)48)54(49,50)42-40(46)32-16-14-31(15-17-32)36-19-13-30(27-39(36)51-3)9-7-22-44-23-25-52-26-24-44/h4-6,11-20,27-28,33,41H,7-10,21-26,29H2,1-3H3,(H,42,46)/t33-/m1/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	71	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50181872 (4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C40H49N5O7S2/c1-43(2)21-8-10-33(29-53-34-11-5-4-6-12-34)41-37-20-18-35(28-38(37)45(47)48)54(49,50)42-40(46)32-16-14-31(15-17-32)36-19-13-30(27-39(36)51-3)9-7-22-44-23-25-52-26-24-44/h4-6,11-20,27-28,33,41H,7-10,21-26,29H2,1-3H3,(H,42,46)/t33-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	317	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))	BDBM50181872 (4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C40H49N5O7S2/c1-43(2)21-8-10-33(29-53-34-11-5-4-6-12-34)41-37-20-18-35(28-38(37)45(47)48)54(49,50)42-40(46)32-16-14-31(15-17-32)36-19-13-30(27-39(36)51-3)9-7-22-44-23-25-52-26-24-44/h4-6,11-20,27-28,33,41H,7-10,21-26,29H2,1-3H3,(H,42,46)/t33-/m1/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	n/a	n/a	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of gelatin				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))	BDBM50181872 (4-((R)-4-Dimethylamino-1-phenylsulfanylmethylbutyl...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C40H49N5O7S2/c1-43(2)21-8-10-33(29-53-34-11-5-4-6-12-34)41-37-20-18-35(28-38(37)45(47)48)54(49,50)42-40(46)32-16-14-31(15-17-32)36-19-13-30(27-39(36)51-3)9-7-22-44-23-25-52-26-24-44/h4-6,11-20,27-28,33,41H,7-10,21-26,29H2,1-3H3,(H,42,46)/t33-/m1/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	n/a	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of 3% fetal bovine serum				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