Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Group XIIB secretory phospholipase A2-like protein' and Ligand = 'BDBM50055366'   

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
Group XIIB secretory phospholipase A2-like protein (Homo sapiens)	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant sPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis				J Med Chem 62: 1999-2007 (2019) Article DOI: 10.1021/acs.jmedchem.8b01568 BindingDB Entry DOI: 10.7270/Q27S7S71
					More data for this Ligand-Target Pair
Group XIIB secretory phospholipase A2-like protein (Homo sapiens)	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant sPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis				J Med Chem 62: 1999-2007 (2019) Article DOI: 10.1021/acs.jmedchem.8b01568 BindingDB Entry DOI: 10.7270/Q27S7S71
					More data for this Ligand-Target Pair
Group XIIB secretory phospholipase A2-like protein (Homo sapiens)	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant sPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis				J Med Chem 62: 1999-2007 (2019) Article DOI: 10.1021/acs.jmedchem.8b01568 BindingDB Entry DOI: 10.7270/Q27S7S71
					More data for this Ligand-Target Pair
Group XIIB secretory phospholipase A2-like protein (Homo sapiens)	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant sPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis				J Med Chem 62: 1999-2007 (2019) Article DOI: 10.1021/acs.jmedchem.8b01568 BindingDB Entry DOI: 10.7270/Q27S7S71
					More data for this Ligand-Target Pair