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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM175039'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM175039
PNG
(US9688678, 11 (+)-3-(2-ethoxy-5-methoxyphenyl)-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(CC2)C2COC2)C1 |c:14,16|
Show InChI InChI=1S/C37H44N6O7S/c1-4-50-28-6-9-33(48-3)31(16-28)37(42-23-36(24-42)21-41(22-36)26-11-13-40(14-12-26)27-19-49-20-27)30-15-25(17-38)5-8-32(30)43(35(37)44)51(45,46)34-10-7-29(47-2)18-39-34/h5-10,15-16,18,26-27,30,32H,4,11-14,19-24H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1<-51.4n/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