Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50181873'   

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))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	652	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))	BDBM50181873 (CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...) Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FITC-labeled Bak BH3 peptide binding to His6-tagged GST-fused Bcl-xL (unknown origin) expressed in Escherichia coli BL21 preincubated f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00242 BindingDB Entry DOI: 10.7270/Q2KD22HB
					More data for this Ligand-Target Pair