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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 = 'BDBM50413770'   
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))
BDBM50413770
PNG
(CHEMBL452403)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)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/C61H74N10O10S2/c1-35(2)51(60(80)81)70-58(78)50-34-82-83-61(3,4)52(71-53(73)44(63)29-38-21-24-39-16-8-9-17-40(39)28-38)59(79)68-48(30-36-14-6-5-7-15-36)55(75)67-49(32-41-33-64-45-19-11-10-18-43(41)45)57(77)65-46(20-12-13-27-62)54(74)66-47(56(76)69-50)31-37-22-25-42(72)26-23-37/h5-11,14-19,21-26,28,33,35,44,46-52,64,72H,12-13,20,27,29-32,34,62-63H2,1-4H3,(H,65,77)(H,66,74)(H,67,75)(H,68,79)(H,69,76)(H,70,78)(H,71,73)(H,80,81)/t44-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.46n/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