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BDBM50302240 CHEMBL569688::tert-butyl 4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butylcarbamate

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

InChI Key: InChIKey=NGGJCHLWJLXTQR-FSCIQCNXNA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302240   
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))
BDBM50302240
PNG
(CHEMBL569688 | tert-butyl 4-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CCCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H46N4O6/c1-25(26-12-8-7-9-13-26)39-20-22-40(23-21-39)30-15-10-14-28-33(30)35(43)41(34(28)42)29(16-11-19-38-36(44)47-37(2,3)4)27-17-18-31(45-5)32(24-27)46-6/h7-10,12-15,17-18,24-25,29H,11,16,19-23H2,1-6H3,(H,38,44)/t25-,29?/s2
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
200n/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)
BDBM50302240
PNG
(CHEMBL569688 | tert-butyl 4-(3,4-dimethoxyphenyl)-...)
Show SMILES COc1ccc(cc1OC)C(CCCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show InChI InChI=1/C37H46N4O6/c1-25(26-12-8-7-9-13-26)39-20-22-40(23-21-39)30-15-10-14-28-33(30)35(43)41(34(28)42)29(16-11-19-38-36(44)47-37(2,3)4)27-17-18-31(45-5)32(24-27)46-6/h7-10,12-15,17-18,24-25,29H,11,16,19-23H2,1-6H3,(H,38,44)/t25-,29?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/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