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BDBM50044068 CHEMBL15904::N-[5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-guanidine::N-{5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl}-guanidine

SMILES: CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=ODJUKFKDSPPDFS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50044068   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/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


(Homo sapiens (Human))
BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+4n/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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/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))
BDBM50044068
PNG
(CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6|
Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/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