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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 = 'BDBM50302238'   
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


(Homo sapiens (Human))
BDBM50302238
PNG
(CHEMBL566565 | N-(3-(3,4-dimethoxyphenyl)-3-(1,3-d...)
Show SMILES COc1ccc(cc1OC)C(CCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O |r|
Show InChI InChI=1S/C35H38N4O6S2/c1-24(25-9-5-4-6-10-25)37-18-20-38(21-19-37)29-12-7-11-27-33(29)35(41)39(34(27)40)28(26-14-15-30(44-2)31(23-26)45-3)16-17-36-47(42,43)32-13-8-22-46-32/h4-15,22-24,28,36H,16-21H2,1-3H3/t24-,28?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
270n/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-2 receptor


(RAT)
BDBM50302238
PNG
(CHEMBL566565 | N-(3-(3,4-dimethoxyphenyl)-3-(1,3-d...)
Show SMILES COc1ccc(cc1OC)C(CCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O |r|
Show InChI InChI=1S/C35H38N4O6S2/c1-24(25-9-5-4-6-10-25)37-18-20-38(21-19-37)29-12-7-11-27-33(29)35(41)39(34(27)40)28(26-14-15-30(44-2)31(23-26)45-3)16-17-36-47(42,43)32-13-8-22-46-32/h4-15,22-24,28,36H,16-21H2,1-3H3/t24-,28?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


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