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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 = 'BDBM50345142'   
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))		BDBM50345142
PNG
((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r|
Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1
UniProtKB/SwissProt

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Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting

Bioorg Med Chem Lett 21: 3828-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.012
BindingDB Entry DOI: 10.7270/Q20P10BC
More data for this
Ligand-Target Pair