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SMILES: COCc1nnc(N2CC3CN(C3C2)c2ccc(F)cc2Cl)n1-c1ccc(OC)nc1

InChI Key: InChIKey=SXNDOUKMAHORJF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50516429   
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
Oxytocin receptor


(Homo sapiens (Human))		BDBM50516429
PNG
(CHEMBL4444840)
Show SMILES COCc1nnc(N2CC3CN(C3C2)c2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H22ClFN6O2/c1-30-12-19-25-26-21(29(19)15-4-6-20(31-2)24-8-15)27-9-13-10-28(18(13)11-27)17-5-3-14(23)7-16(17)22/h3-8,13,18H,9-12H2,1-2H3
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Shanghai Hengrui Pharmaceutical CO., LTD.

Curated by ChEMBL


Assay Description
Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by ...

ACS Med Chem Lett 10: 996-1001 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00186
More data for this
Ligand-Target Pair