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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urotensin II receptor' and Ligand = 'BDBM50320463'   
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))
BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[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](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.251n/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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50320463
PNG
(CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[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](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells


J Med Chem 49: 7234-8 (2006)

Checked by Author
Article DOI: 10.1021/jm0602110
BindingDB Entry DOI: 10.7270/Q29G5P1V
More data for this
Ligand-Target Pair