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BDBM127150 US8791272, 2.33

SMILES: CCc1nn(Cc2ccc(NC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(CC)c1CC(O)=O

InChI Key: InChIKey=HKHOGOMFGJBOCK-YWRPIJFUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 127150   
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
G protein-coupled receptor 44


(Homo sapiens (Human))		BDBM127150
PNG
(US8791272, 2.33)
Show SMILES CCc1nn(Cc2ccc(NC(=O)C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(CC)c1CC(O)=O |r,wU:16.22,14.24,wD:18.17,20.21,(1.28,4.24,;2.77,4.64,;3.86,3.55,;3.38,2.09,;4.63,1.18,;4.63,-.36,;3.3,-1.13,;1.96,-.36,;.63,-1.13,;.63,-2.67,;-.71,-3.44,;-2.04,-2.67,;-2.04,-1.13,;-3.37,-3.44,;-4.7,-3.06,;-6.38,-4.77,;-6.67,-6.13,;-7.07,-4.64,;-5.98,-3.55,;-4.49,-3.95,;-4.1,-5.43,;-5.19,-6.52,;-5.23,-1.62,;1.96,-3.44,;3.3,-2.67,;5.87,2.09,;7.36,1.69,;7.76,.2,;5.4,3.55,;6.49,4.64,;6.09,6.13,;7.18,7.22,;4.6,6.53,)|
Show InChI InChI=1S/C27H35N3O3/c1-3-23-22(14-25(31)32)24(4-2)30(29-23)15-16-5-7-21(8-6-16)28-27(33)26-19-10-17-9-18(12-19)13-20(26)11-17/h5-8,17-20,26H,3-4,9-15H2,1-2H3,(H,28,33)(H,31,32)/t17-,18+,19-,20+,26?
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Similars
US Patent
 0.800n/an/an/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...

US Patent US8791272 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GNV
More data for this
Ligand-Target Pair