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BDBM50302235 CHEMBL567866::tert-butyl 2-(3,4-dimethoxyphenyl)-2-(1,3-dioxo-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)ethylcarbamate

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

InChI Key: InChIKey=PDSUGZQHFWZCJV-UHFKCPIBSA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302235   
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))
BDBM50302235
PNG
(CHEMBL567866 | tert-butyl 2-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C35H42N4O6/c1-23(24-11-8-7-9-12-24)37-17-19-38(20-18-37)27-14-10-13-26-31(27)33(41)39(32(26)40)28(22-36-34(42)45-35(2,3)4)25-15-16-29(43-5)30(21-25)44-6/h7-16,21,23,28H,17-20,22H2,1-6H3,(H,36,42)/t23-,28?/m0/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
430n/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)
BDBM50302235
PNG
(CHEMBL567866 | tert-butyl 2-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C35H42N4O6/c1-23(24-11-8-7-9-12-24)37-17-19-38(20-18-37)27-14-10-13-26-31(27)33(41)39(32(26)40)28(22-36-34(42)45-35(2,3)4)25-15-16-29(43-5)30(21-25)44-6/h7-16,21,23,28H,17-20,22H2,1-6H3,(H,36,42)/t23-,28?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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