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4 similar compounds to monomer 50406363

Compile data set for download or QSAR
Wt: 235.3
BDBM50012887		Wt: 249.3
BDBM50015101		Wt: 249.3
BDBM50015183		Wt: 311.4
BDBM50406364

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50012887,50015101,50015183,50406364   
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)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
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n/an/a 1.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact RBL-1 cell line

J Med Chem 33: 2070-2 (1990)


Article DOI: 10.1021/jm00170a004
BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
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n/an/a 288n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50015183
PNG
(CHEMBL303900 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-m...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)(C)C(=O)N(C)O
Show InChI InChI=1S/C15H23NO2/c1-11(2)10-12-6-8-13(9-7-12)15(3,4)14(17)16(5)18/h6-9,11,18H,10H2,1-5H3
PDB
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n/an/a 760n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50015101
PNG
(CHEMBL369017 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-m...)
Show SMILES CCC(C(=O)N(C)O)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C15H23NO2/c1-5-14(15(17)16(4)18)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,14,18H,5,10H2,1-4H3
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n/an/a 5.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
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n/an/a 980n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells

J Med Chem 30: 2121-6 (1987)


Article DOI: 10.1021/jm00394a032
BindingDB Entry DOI: 10.7270/Q29Z93XT
More data for this
Ligand-Target Pair
Cyclooxygenase


(RAT)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
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NCI pathway
Reactome pathway
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n/an/a 2.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line

J Med Chem 33: 2070-2 (1990)


Article DOI: 10.1021/jm00170a004
BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50406364
PNG
(CHEMBL173711)
Show SMILES CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
Show InChI InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-18(12-10-17)19(20(22)21(3)23)14-16-7-5-4-6-8-16/h4-12,15,19,23H,13-14H2,1-3H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50406364
PNG
(CHEMBL173711)
Show SMILES CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
Show InChI InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-18(12-10-17)19(20(22)21(3)23)14-16-7-5-4-6-8-16/h4-12,15,19,23H,13-14H2,1-3H3
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50015183
PNG
(CHEMBL303900 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-m...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)(C)C(=O)N(C)O
Show InChI InChI=1S/C15H23NO2/c1-11(2)10-12-6-8-13(9-7-12)15(3,4)14(17)16(5)18/h6-9,11,18H,10H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
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PubMed
n/an/a 759n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50015101
PNG
(CHEMBL369017 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-m...)
Show SMILES CCC(C(=O)N(C)O)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C15H23NO2/c1-5-14(15(17)16(4)18)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,14,18H,5,10H2,1-4H3
PDB
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KEGG

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n/an/a 560n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)

J Med Chem 33: 992-8 (1990)


Article DOI: 10.1021/jm00165a017
BindingDB Entry DOI: 10.7270/Q2WW7GNM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)		BDBM50012887
PNG
(CHEMBL65430 | N-Hydroxy-2-(4-isobutyl-phenyl)-N-me...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(C)O
Show InChI InChI=1S/C14H21NO2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15(4)17/h5-8,10-11,17H,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Similars
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PubMed
n/an/a 290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase in RBL-1 cells

J Med Chem 31: 3-5 (1988)


Article DOI: 10.1021/jm00396a002
BindingDB Entry DOI: 10.7270/Q2V40T6C
More data for this
Ligand-Target Pair