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BDBM118883 US8674113, 140

SMILES: Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(cc12)N1CCC(F)(F)CC1

InChI Key: InChIKey=VBWLKINPARVGLN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 118883   
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 E synthase


(Homo sapiens (Human))
BDBM118883
PNG
(US8674113, 140)
Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(cc12)N1CCC(F)(F)CC1
Show InChI InChI=1S/C32H30Cl2F6N6O3/c1-30(2,35)28(48)41-16-17-4-9-21(33)26(25(17)34)44-29-43-22-14-20(27(47)42-18-5-7-19(8-6-18)49-32(38,39)40)23(15-24(22)45(29)3)46-12-10-31(36,37)11-13-46/h4-9,14-15H,10-13,16H2,1-3H3,(H,41,48)(H,42,47)(H,43,44)
PDB
MMDB

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Similars

US Patent
n/an/a 2n/an/an/an/a7.425



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 μl of recombinant human mPGES-1 (0.5 μg p...


US Patent US8674113 (2014)


BindingDB Entry DOI: 10.7270/Q2708035
More data for this
Ligand-Target Pair