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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 = 'BDBM50048697'   
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))
BDBM50048697
PNG
(CHEMBL3315144)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)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](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C53H67N11O11S3/c1-28(2)43(52(74)75)63-50(72)39-27-76-78-53(3,4)44(64-45(67)32(55)24-42(65)66)51(73)61-36(22-29-14-6-5-7-15-29)47(69)59-37(23-30-26-56-33-17-9-8-16-31(30)33)48(70)58-35(19-12-13-21-54)46(68)60-38(49(71)62-39)25-41-57-34-18-10-11-20-40(34)77-41/h5-11,14-18,20,26,28,32,35-39,43-44,56H,12-13,19,21-25,27,54-55H2,1-4H3,(H,58,70)(H,59,69)(H,60,68)(H,61,73)(H,62,71)(H,63,72)(H,64,67)(H,65,66)(H,74,75)/t32-,35-,36-,37-,38-,39-,43-,44+/s2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/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 recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method


J Med Chem 57: 5965-74 (2014)


Article DOI: 10.1021/jm500218x
BindingDB Entry DOI: 10.7270/Q2MC91NB
More data for this
Ligand-Target Pair