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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 = 'BDBM50048690'   
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))
BDBM50048690
PNG
(CHEMBL3315143)
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](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C55H68N10O11S2/c1-30(2)45(54(75)76)64-52(73)43-29-77-78-55(3,4)46(65-47(68)37(57)27-44(66)67)53(74)62-40(24-31-14-6-5-7-15-31)49(70)61-42(26-34-28-58-38-21-11-10-20-36(34)38)50(71)59-39(22-13-23-56)48(69)60-41(51(72)63-43)25-33-18-12-17-32-16-8-9-19-35(32)33/h5-12,14-21,28,30,37,39-43,45-46,58H,13,22-27,29,56-57H2,1-4H3,(H,59,71)(H,60,69)(H,61,70)(H,62,74)(H,63,72)(H,64,73)(H,65,68)(H,66,67)(H,75,76)/t37-,39-,40-,41-,42+,43-,45-,46+/s2
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PC cid
PC sid
UniChem
Article
PubMed
6.5n/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