Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2, membrane associated' and Ligand = 'BDBM50428495'   

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
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50428495 (CHEMBL2335207) Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,58.60,wD:50.52,(34.05,-39.55,;32.52,-39.39,;31.5,-40.53,;30.1,-39.91,;28.77,-40.68,;27.44,-39.91,;27.44,-38.38,;26.11,-40.68,;24.79,-39.91,;23.46,-40.68,;23.46,-42.21,;24.8,-42.98,;26.12,-42.21,;30.26,-38.39,;31.75,-38.07,;32.38,-36.66,;33.88,-36.34,;34.03,-34.81,;32.63,-34.2,;31.61,-35.34,;35.36,-34.05,;35.35,-32.51,;36.68,-34.81,;38.02,-34.04,;39.35,-34.81,;39.35,-36.35,;40.69,-34.04,;42.02,-34.81,;42.02,-36.35,;43.36,-37.12,;43.36,-38.66,;44.7,-39.43,;44.7,-40.98,;43.36,-41.75,;46.03,-41.75,;43.36,-34.04,;43.36,-32.5,;44.7,-34.81,;46.03,-34.04,;47.37,-34.81,;47.37,-36.35,;48.7,-34.04,;50.04,-34.81,;50.04,-36.35,;51.37,-37.12,;52.71,-36.35,;51.37,-38.66,;51.37,-34.04,;51.37,-32.5,;52.71,-34.81,;54.04,-34.04,;54.04,-32.5,;55.38,-31.72,;56.71,-32.5,;55.38,-30.18,;55.38,-34.81,;55.38,-36.35,;56.71,-34.04,;58.05,-34.81,;58.05,-36.35,;59.38,-37.12,;60.72,-36.35,;59.38,-38.66,;59.38,-34.04,;60.72,-34.81,;59.38,-32.5,)| Show InChI InChI=1S/C37H45N13O15S/c1-16-29(66-37(43-16)48-30(59)17-6-3-2-4-7-17)19-10-22(50-49-19)32(61)42-14-24(51)44-18(8-5-9-40-36(38)39)31(60)41-15-25(52)45-20(11-26(53)54)33(62)46-21(12-27(55)56)34(63)47-23(35(64)65)13-28(57)58/h2-4,6-7,10,18,20-21,23H,5,8-9,11-15H2,1H3,(H,41,60)(H,42,61)(H,44,51)(H,45,52)(H,46,62)(H,47,63)(H,49,50)(H,53,54)(H,55,56)(H,57,58)(H,64,65)(H4,38,39,40)(H,43,48,59)/t18-,20-,21-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi...				Bioorg Med Chem Lett 23: 340-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.080 BindingDB Entry DOI: 10.7270/Q279460W
					More data for this Ligand-Target Pair