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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50525086'   
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 V2 receptor


(Homo sapiens (Human))		BDBM50525086
PNG
(CHEMBL4459424)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C45H65ClN12O9S2/c1-4-50-38(61)29(9-5-17-51-45(48)49)53-42(65)34-10-6-18-58(34)44(67)30-15-20-68-21-16-36(60)52-31(22-26-11-13-27(46)14-12-26)39(62)55-32(23-28-8-7-19-69-28)41(64)57-37(25(2)3)43(66)56-33(24-35(47)59)40(63)54-30/h7-8,11-14,19,25,29-34,37H,4-6,9-10,15-18,20-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,63)(H,55,62)(H,56,66)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair