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SMILES: CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1

InChI Key: InChIKey=SVVAEGXEQJNQID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174904   
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))		BDBM174904
PNG
(US9688678, 1A (+)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1 |c:14,16|
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-26-7-10-31(46-4)29(17-26)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(45-3)19-37-32/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...

US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair