Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50181881'   

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))	BDBM50181881 (CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/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	<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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181881 (CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/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+4	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))	BDBM50181881 (CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/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	382	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))	BDBM50181881 (CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/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	2.11E+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