BDBM50181869 4-((R)-5-dimethylamino-1-phenylsulfanylmethylpentylamino)-N-[2'-methoxy-4'-(3-morpholin-4-ylpropyl)biphenyl-4-carbonyl]-3-nitrobenzenesulfonamide::CHEMBL201947

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

InChI Key: InChIKey=HCRVHCSWPNGASC-UUWRZZSWSA-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 = 50181869   

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))	BDBM50181869 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H51N5O7S2/c1-44(2)22-8-7-11-34(30-54-35-12-5-4-6-13-35)42-38-21-19-36(29-39(38)46(48)49)55(50,51)43-41(47)33-17-15-32(16-18-33)37-20-14-31(28-40(37)52-3)10-9-23-45-24-26-53-27-25-45/h4-6,12-21,28-29,34,42H,7-11,22-27,30H2,1-3H3,(H,43,47)/t34-/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	<0.5	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))	BDBM50181869 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H51N5O7S2/c1-44(2)22-8-7-11-34(30-54-35-12-5-4-6-13-35)42-38-21-19-36(29-39(38)46(48)49)55(50,51)43-41(47)33-17-15-32(16-18-33)37-20-14-31(28-40(37)52-3)10-9-23-45-24-26-53-27-25-45/h4-6,12-21,28-29,34,42H,7-11,22-27,30H2,1-3H3,(H,43,47)/t34-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	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))	BDBM50181869 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H51N5O7S2/c1-44(2)22-8-7-11-34(30-54-35-12-5-4-6-13-35)42-38-21-19-36(29-39(38)46(48)49)55(50,51)43-41(47)33-17-15-32(16-18-33)37-20-14-31(28-40(37)52-3)10-9-23-45-24-26-53-27-25-45/h4-6,12-21,28-29,34,42H,7-11,22-27,30H2,1-3H3,(H,43,47)/t34-/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	215	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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181869 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H51N5O7S2/c1-44(2)22-8-7-11-34(30-54-35-12-5-4-6-13-35)42-38-21-19-36(29-39(38)46(48)49)55(50,51)43-41(47)33-17-15-32(16-18-33)37-20-14-31(28-40(37)52-3)10-9-23-45-24-26-53-27-25-45/h4-6,12-21,28-29,34,42H,7-11,22-27,30H2,1-3H3,(H,43,47)/t34-/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	1.20E+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))	BDBM50181869 (4-((R)-5-dimethylamino-1-phenylsulfanylmethylpenty...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCCCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H51N5O7S2/c1-44(2)22-8-7-11-34(30-54-35-12-5-4-6-13-35)42-38-21-19-36(29-39(38)46(48)49)55(50,51)43-41(47)33-17-15-32(16-18-33)37-20-14-31(28-40(37)52-3)10-9-23-45-24-26-53-27-25-45/h4-6,12-21,28-29,34,42H,7-11,22-27,30H2,1-3H3,(H,43,47)/t34-/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	6.00E+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