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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 = 'BDBM175212'   
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))		BDBM175212
PNG
(US9688678, 34 (3S)-1-[(5-chloro-2-pyridyl)sulfonyl...)
Show SMILES CCOc1ccc(OC)cc1[C@]1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(Cl)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1 |r,c:14,16|
Show InChI InChI=1S/C34H39ClN6O5S/c1-4-46-30-9-7-26(45-3)16-28(30)34(40-21-33(22-40)19-39(20-33)25-11-13-38(2)14-12-25)27-15-23(17-36)5-8-29(27)41(32(34)42)47(43,44)31-10-6-24(35)18-37-31/h5-10,15-16,18,25,27,29H,4,11-14,19-22H2,1-3H3/t27?,29?,34-/m0/s1
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