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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 = 'BDBM50525085'   
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))		BDBM50525085
PNG
(CHEMBL4536454)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=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/C44H63ClN12O9S3/c1-4-49-37(60)28(8-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)29-13-17-67-18-14-35(59)51-30(19-25-9-11-26(45)12-10-25)38(61)54-31(20-27-7-6-16-69-27)40(63)56-36(24(2)3)42(65)55-32(21-34(46)58)39(62)53-29/h6-7,9-12,16,24,28-33,36H,4-5,8,13-15,17-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,62)(H,54,61)(H,55,65)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.110n/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