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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 = 'BDBM50048702'   
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))
BDBM50048702
PNG
(CHEMBL3315149)
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](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C51H64Cl2N10O11S2/c1-26(2)41(50(73)74)62-48(71)39-25-75-76-51(3,4)42(63-43(66)33(55)23-40(64)65)49(72)60-36(20-27-11-6-5-7-12-27)45(68)59-38(22-29-24-56-34-14-9-8-13-30(29)34)47(70)57-35(15-10-18-54)44(67)58-37(46(69)61-39)21-28-16-17-31(52)32(53)19-28/h5-9,11-14,16-17,19,24,26,33,35-39,41-42,56H,10,15,18,20-23,25,54-55H2,1-4H3,(H,57,70)(H,58,67)(H,59,68)(H,60,72)(H,61,69)(H,62,71)(H,63,66)(H,64,65)(H,73,74)/t33-,35-,36-,37-,38+,39-,41-,42+/s2
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/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