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BDBM50345075 (S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-methyl-N-(3-(4-methylpiperazin-1-yl)propyl)-3-phenylpropanamide::CHEMBL1779228

SMILES: COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCCN1CCN(C)CC1

InChI Key: InChIKey=MGMISNXERNNMPS-VWLOTQADSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345075   
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))		BDBM50345075
PNG
((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCCN1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H42N4O4S/c1-21-19-26(36-6)22(2)23(3)27(21)37(34,35)29-25(20-24-11-8-7-9-12-24)28(33)31(5)13-10-14-32-17-15-30(4)16-18-32/h7-9,11-12,19,25,29H,10,13-18,20H2,1-6H3/t25-/m0/s1
UniProtKB/SwissProt

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PC sid
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Similars
Article
PubMed
 1.00E+3n/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