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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 = 'BDBM50269951'   
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)
BDBM50269951
PNG
(CHEMBL4069649)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H34N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-15,17-20H,7,16,21-24,34H2,1H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.80n/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)
BDBM50269951
PNG
(CHEMBL4069649)
Show SMILES Cl.COc1ccc(CCC2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H34N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-15,17-20H,7,16,21-24,34H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20n/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