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BDBM50302237 CHEMBL568089::tert-butyl 3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)propylcarbamate

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

InChI Key: InChIKey=VXIRZADKDLXOPU-ZZDYIDRTSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302237   
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))
BDBM50302237
PNG
(CHEMBL568089 | tert-butyl 3-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C36H44N4O6/c1-24(25-11-8-7-9-12-25)38-19-21-39(22-20-38)29-14-10-13-27-32(29)34(42)40(33(27)41)28(17-18-37-35(43)46-36(2,3)4)26-15-16-30(44-5)31(23-26)45-6/h7-16,23-24,28H,17-22H2,1-6H3,(H,37,43)/t24-,28?/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
540n/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)
BDBM50302237
PNG
(CHEMBL568089 | tert-butyl 3-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1S/C36H44N4O6/c1-24(25-11-8-7-9-12-25)38-19-21-39(22-20-38)29-14-10-13-27-32(29)34(42)40(33(27)41)28(17-18-37-35(43)46-36(2,3)4)26-15-16-30(44-5)31(23-26)45-6/h7-16,23-24,28H,17-22H2,1-6H3,(H,37,43)/t24-,28?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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