Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50181882'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50181882 ((R)-3-(4-{[2'-methoxy-4'-(3-morpholin-4-ylpropyl)b...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C39H45N5O8S2/c1-42(2)38(45)25-31(27-53-32-9-5-4-6-10-32)40-35-18-16-33(26-36(35)44(47)48)54(49,50)41-39(46)30-14-12-29(13-15-30)34-17-11-28(24-37(34)51-3)8-7-19-43-20-22-52-23-21-43/h4-6,9-18,24,26,31,40H,7-8,19-23,25,27H2,1-3H3,(H,41,46)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50181882 ((R)-3-(4-{[2'-methoxy-4'-(3-morpholin-4-ylpropyl)b...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C39H45N5O8S2/c1-42(2)38(45)25-31(27-53-32-9-5-4-6-10-32)40-35-18-16-33(26-36(35)44(47)48)54(49,50)41-39(46)30-14-12-29(13-15-30)34-17-11-28(24-37(34)51-3)8-7-19-43-20-22-52-23-21-43/h4-6,9-18,24,26,31,40H,7-8,19-23,25,27H2,1-3H3,(H,41,46)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181882 ((R)-3-(4-{[2'-methoxy-4'-(3-morpholin-4-ylpropyl)b...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C39H45N5O8S2/c1-42(2)38(45)25-31(27-53-32-9-5-4-6-10-32)40-35-18-16-33(26-36(35)44(47)48)54(49,50)41-39(46)30-14-12-29(13-15-30)34-17-11-28(24-37(34)51-3)8-7-19-43-20-22-52-23-21-43/h4-6,9-18,24,26,31,40H,7-8,19-23,25,27H2,1-3H3,(H,41,46)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.63E+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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181882 ((R)-3-(4-{[2'-methoxy-4'-(3-morpholin-4-ylpropyl)b...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C39H45N5O8S2/c1-42(2)38(45)25-31(27-53-32-9-5-4-6-10-32)40-35-18-16-33(26-36(35)44(47)48)54(49,50)41-39(46)30-14-12-29(13-15-30)34-17-11-28(24-37(34)51-3)8-7-19-43-20-22-52-23-21-43/h4-6,9-18,24,26,31,40H,7-8,19-23,25,27H2,1-3H3,(H,41,46)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.28E+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