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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 = 'BDBM50269957'   
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)
BDBM50269957
PNG
(CHEMBL4068478)
Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.70n/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)
BDBM50269957
PNG
(CHEMBL4068478)
Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5|
Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40n/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