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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50269952'   
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-2 receptor


(RAT)
BDBM50269952
PNG
(CHEMBL4085539)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C32H34N4O2/c1-38-28-17-13-24(14-18-28)15-19-30-29-10-4-5-11-31(29)35(32(37)36(34-30)21-7-6-20-33)23-25-12-16-26-8-2-3-9-27(26)22-25/h2-5,8-14,16-18,22H,6-7,15,19-21,23,33H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...


J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(RAT)
BDBM50269952
PNG
(CHEMBL4085539)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCCN)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C32H34N4O2/c1-38-28-17-13-24(14-18-28)15-19-30-29-10-4-5-11-31(29)35(32(37)36(34-30)21-7-6-20-33)23-25-12-16-26-8-2-3-9-27(26)22-25/h2-5,8-14,16-18,22H,6-7,15,19-21,23,33H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...


J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair