Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM139040'   

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))	BDBM139040 (US8883784, 1) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...				US Patent US8883784 (2014) BindingDB Entry DOI: 10.7270/Q2GT5KWT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139040 (US8883784, 1) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL-XL (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139040 (US8883784, 1) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST-tagged BCL-XL (unknown origin) assessed as equilibrium dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair