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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 = 'BDBM50302228'   
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))
BDBM50302228
PNG
((R)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)pi...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(CC4)[C@H](C)c4ccccc4)c3C2=O)cc1OC
Show InChI InChI=1/C29H31N3O4/c1-20(22-8-5-4-6-9-22)30-14-16-31(17-15-30)24-11-7-10-23-27(24)29(34)32(28(23)33)19-21-12-13-25(35-2)26(18-21)36-3/h4-13,18,20H,14-17,19H2,1-3H3/t20-/s2
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
570n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302228
PNG
((R)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)pi...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(CC4)[C@H](C)c4ccccc4)c3C2=O)cc1OC
Show InChI InChI=1/C29H31N3O4/c1-20(22-8-5-4-6-9-22)30-14-16-31(17-15-30)24-11-7-10-23-27(24)29(34)32(28(23)33)19-21-12-13-25(35-2)26(18-21)36-3/h4-13,18,20H,14-17,19H2,1-3H3/t20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization aft...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair