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BDBM50302233 2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione::CHEMBL565937

SMILES: CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=JGIWRIFEXHLPDP-JGKWMGOWSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302233   
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 II receptor


(Homo sapiens (Human))
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
310n/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
UTS2R


(RAT)
BDBM50302233
PNG
(2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phen...)
Show SMILES CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 180n/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