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BDBM50075514 5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-mercapto-1,5-dihydro-imidazol-4-one::CHEMBL15945

SMILES: CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=NWNXNTCFZWMSHE-LCYFTJDESA-N

Data: 4 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 4 hits for monomerid = 50075514   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50075514
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair