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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 = 'BDBM50525077'   
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))		BDBM50525077
PNG
(CHEMBL4472007)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r|
Show InChI InChI=1S/C48H65ClN12O9S4/c1-27(2)40-46(69)58-35(23-38(50)62)43(66)59-36(47(70)61-26-72-25-37(61)45(68)56-32(9-3-16-54-48(51)52)41(64)53-17-15-30-7-4-19-73-30)24-71-18-6-10-39(63)55-33(21-28-11-13-29(49)14-12-28)42(65)57-34(44(67)60-40)22-31-8-5-20-74-31/h4-5,7-8,11-14,19-20,27,32-37,40H,3,6,9-10,15-18,21-26H2,1-2H3,(H2,50,62)(H,53,64)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,66)(H,60,67)(H4,51,52,54)/t32-,33+,34+,35+,36+,37+,40+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.170n/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