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BDBM50345083 2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)acetamide::CHEMBL1779236

SMILES: COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)NCCCN2CCN(C)CC2)c2cc(F)ccc12

InChI Key: InChIKey=JPVUCQHMDSKVDT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345083   
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
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345083
PNG
(2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfony...)
Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)NCCCN2CCN(C)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C28H37FN4O4S/c1-19-20(2)27(10-9-26(19)37-5)38(35,36)33-21(3)23(24-17-22(29)7-8-25(24)33)18-28(34)30-11-6-12-32-15-13-31(4)14-16-32/h7-10,17H,6,11-16,18H2,1-5H3,(H,30,34)
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Similars
Article
PubMed
 430n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells

Bioorg Med Chem Lett 21: 3603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.104
BindingDB Entry DOI: 10.7270/Q2833SCQ
More data for this
Ligand-Target Pair