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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urotensin II receptor' and Ligand = 'BDBM50413775'   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413775
PNG
(CHEMBL501794)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C54H75N11O10S2/c1-31(2)44(53(74)75)64-51(72)43-30-76-77-54(3,4)45(65-46(67)37(57)17-10-12-24-55)52(73)62-41(26-32-14-6-5-7-15-32)48(69)61-42(28-34-29-58-38-18-9-8-16-36(34)38)50(71)59-39(19-11-13-25-56)47(68)60-40(49(70)63-43)27-33-20-22-35(66)23-21-33/h5-9,14-16,18,20-23,29,31,37,39-45,58,66H,10-13,17,19,24-28,30,55-57H2,1-4H3,(H,59,71)(H,60,68)(H,61,69)(H,62,73)(H,63,70)(H,64,72)(H,65,67)(H,74,75)/t37-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.33n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair