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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 44' and Ligand = 'BDBM189204'   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM189204
PNG
(US9169270, 76)
Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)/t20-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.025



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...


US Patent US9169270 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QFG
More data for this
Ligand-Target Pair