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SMILES: COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC(C)(F)F)C#N

InChI Key: InChIKey=SAYMTMXJVQIOKC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175069   
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))		BDBM175069
PNG
(US9688678, 30 (+-)-3-[2-(1,1-difluoroethyl)-3-pyri...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC(C)(F)F)C#N |c:14,16|
Show InChI InChI=1S/C33H37F2N7O5S/c1-31(34,35)47-29-25(5-4-12-37-29)33(41-20-32(21-41)18-40(19-32)23-10-13-39(2)14-11-23)26-15-22(16-36)6-8-27(26)42(30(33)43)48(44,45)28-9-7-24(46-3)17-38-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 5.5 -11.3n/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