Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50522042'   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50522042 (CHEMBL4537499) Show SMILES Cc1c2C(=O)N(CN3CCN(CC3)c3ccccc3)C(=O)c2c(C)n1-c1cccc(Cl)c1 Show InChI InChI=1S/C25H25ClN4O2/c1-17-22-23(18(2)30(17)21-10-6-7-19(26)15-21)25(32)29(24(22)31)16-27-11-13-28(14-12-27)20-8-4-3-5-9-20/h3-10,15H,11-14,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) assessed as suppression of PGG2 conversion to PGH2 incubated fro 2 mins by TMPD based colorimetric assay				Bioorg Med Chem 27: 3918-3928 (2019) Article DOI: 10.1016/j.bmc.2019.07.033 BindingDB Entry DOI: 10.7270/Q2B56P4S
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