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SMILES: CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNCc1cccs1)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=NMPBLSGROAKOMM-HHHXNRCGSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50302260   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50302260
PNG
((R)-2-(1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmet...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNCc1cccs1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H40N4O3S/c1-4-33-15-17-34(18-16-33)28-10-5-9-25-26(28)22-35(31(25)36)27(11-6-14-32-21-24-8-7-19-39-24)23-12-13-29(37-2)30(20-23)38-3/h5,7-10,12-13,19-20,27,32H,4,6,11,14-18,21-22H2,1-3H3/t27-/m1/s1
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Article
PubMed
18n/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


(Homo sapiens (Human))
BDBM50302260
PNG
((R)-2-(1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmet...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNCc1cccs1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H40N4O3S/c1-4-33-15-17-34(18-16-33)28-10-5-9-25-26(28)22-35(31(25)36)27(11-6-14-32-21-24-8-7-19-39-24)23-12-13-29(37-2)30(20-23)38-3/h5,7-10,12-13,19-20,27,32H,4,6,11,14-18,21-22H2,1-3H3/t27-/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 59n/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
Urotensin-2 receptor


(RAT)
BDBM50302260
PNG
((R)-2-(1-(3,4-dimethoxyphenyl)-4-(thiophen-2-ylmet...)
Show SMILES CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNCc1cccs1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H40N4O3S/c1-4-33-15-17-34(18-16-33)28-10-5-9-25-26(28)22-35(31(25)36)27(11-6-14-32-21-24-8-7-19-39-24)23-12-13-29(37-2)30(20-23)38-3/h5,7-10,12-13,19-20,27,32H,4,6,11,14-18,21-22H2,1-3H3/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/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