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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 = 'BDBM50302252'   
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))
BDBM50302252
PNG
(CHEMBL568764 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1cnoc1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H41N5O6/c1-24(26-10-6-5-7-11-26)40-18-20-41(21-19-40)31-13-8-12-28-34(31)37(45)42(36(28)44)30(27-15-16-32(46-3)33(22-27)47-4)14-9-17-38-35(43)29-23-39-48-25(29)2/h5-8,10-13,15-16,22-24,30H,9,14,17-21H2,1-4H3,(H,38,43)/t24-,30-/s2
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
130n/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))
BDBM50302252
PNG
(CHEMBL568764 | N-((R)-4-(3,4-dimethoxyphenyl)-4-(1...)
Show SMILES COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1cnoc1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H41N5O6/c1-24(26-10-6-5-7-11-26)40-18-20-41(21-19-40)31-13-8-12-28-34(31)37(45)42(36(28)44)30(27-15-16-32(46-3)33(22-27)47-4)14-9-17-38-35(43)29-23-39-48-25(29)2/h5-8,10-13,15-16,22-24,30H,9,14,17-21H2,1-4H3,(H,38,43)/t24-,30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 760n/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