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BDBM189160 US9169270, 32

SMILES: Cc1ccc(OCC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c(C)n1

InChI Key: InChIKey=GPBXNRBIDFWBBO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189160   
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))
BDBM189160
PNG
(US9169270, 32)
Show SMILES Cc1ccc(OCC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c(C)n1
Show InChI InChI=1S/C23H22ClN3O5S/c1-13-3-5-18(14(2)26-13)31-10-20(28)27-8-7-17-23(33-12-25-17)22(27)16-9-15(24)4-6-19(16)32-11-21(29)30/h3-6,9,12,22H,7-8,10-11H2,1-2H3,(H,29,30)
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Similars

US Patent
n/an/a 83.2n/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