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BDBM50302234 2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione::CHEMBL566144

SMILES: COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O

InChI Key: InChIKey=GARZUTMCULGOHF-JINQPTGOSA-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 = 50302234   
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))
BDBM50302234
PNG
(2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)...)
Show SMILES COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/m0/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/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)
BDBM50302234
PNG
(2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)...)
Show SMILES COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/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