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BDBM50526529 CHEMBL4483631

SMILES: COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O

InChI Key: InChIKey=XFKLCWVAIINPDB-WKILWMFISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526529   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin D Synthase


(Homo sapiens (Human))		BDBM50526529
PNG
(CHEMBL4483631)
Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(62.72,-30.6,;64.05,-31.37,;65.39,-30.6,;65.39,-29.06,;66.72,-28.29,;68.05,-29.05,;69.38,-28.28,;70.71,-29.04,;70.72,-30.59,;69.39,-31.36,;68.05,-30.6,;66.72,-31.37,;72.04,-28.26,;72.02,-26.72,;73.38,-29.02,;74.7,-28.24,;74.68,-26.71,;76.01,-25.93,;77.35,-26.69,;77.36,-28.23,;76.04,-29.01,;78.68,-25.91,;77.91,-24.57,;79.45,-24.57,;80.02,-26.68,)|
Show InChI InChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23)/t15-,16-
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...

Bioorg Med Chem 27: 1456-1478 (2019)


Article DOI: 10.1016/j.bmc.2019.02.017
More data for this
Ligand-Target Pair