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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D Synthase' and Ligand = 'BDBM250508'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM250508
PNG
(US9469627, 3)
Show SMILES C[C@@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O |r|
Show InChI InChI=1/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/a7.4n/a



Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


US Patent US9469627 (2016)

More data for this
Ligand-Target Pair