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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'green' and Initial = 'am'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
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0.120n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.28n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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1.48n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.35n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374601
PNG
(CHEMBL408003 | US9604926, Compound CM-135 | US9724...)
Show SMILES C(CCN1CCN(CC1)C1CCCCC1)CSc1nc2ccccc2o1
Show InChI InChI=1S/C21H31N3OS/c1-2-8-18(9-3-1)24-15-13-23(14-16-24)12-6-7-17-26-21-22-19-10-4-5-11-20(19)25-21/h4-5,10-11,18H,1-3,6-9,12-17H2
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3.37n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50353844
PNG
(CHEMBL270341 | US9604926, Compound CM-145 | US9724...)
Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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4.17n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374603
PNG
(CHEMBL272610 | US9604926, Compound SN-48 | US97244...)
Show SMILES O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3O2/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2
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4.60n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374595
PNG
(CHEMBL272854 | US9604926, Compound CM-372 | US9724...)
Show SMILES S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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4.90n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374596
PNG
(CHEMBL406081 | US9724435, Compound SN-99)
Show SMILES O=c1sc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H33N3OS/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h5-6,11-12,19H,1-4,7-10,13-18H2
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4.98n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374606
PNG
(CHEMBL405925 | US9604926, Compound CM-124 | US9724...)
Show SMILES O=c1oc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3O2/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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5.22n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374605
PNG
(CHEMBL273084 | US9604926, Compound SN-99 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H29N3OS/c24-20-23(18-9-4-5-10-19(18)25-20)12-6-11-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2
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5.61n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374602
PNG
(CHEMBL272608 | US9604926, Compound SN-102 | US9724...)
Show SMILES O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H35N3OS/c27-23-26(21-12-6-7-13-22(21)28-23)15-9-2-1-8-14-24-16-18-25(19-17-24)20-10-4-3-5-11-20/h6-7,12-13,20H,1-5,8-11,14-19H2
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6.55n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374599
PNG
(CHEMBL269876 | US9604926, Compound CM-129 | US9724...)
Show SMILES O=c1oc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3O2/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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6.90n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374604
PNG
(CHEMBL406082 | US9604926, Compound CM-126 | US9724...)
Show SMILES O=c1oc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-11-5-6-12-21(20)27-22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h5-6,11-12,19H,1-4,7-10,13-18H2
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10.6n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374597
PNG
(CHEMBL271772 | US9604926, Compound CM-121 | US9724...)
Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3O2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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11.3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.04E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.18E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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1.40E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H]paroxetine from serotonin transporter in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50374598
PNG
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)
Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50004679
PNG
(2-Benzyl-naphthalen-1-ol | 2-Benzyl-naphthalen-1-o...)
Show SMILES Oc1c(Cc2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11,18H,12H2
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n/an/a 19n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase of RBL-1 cell line


J Med Chem 35: 3148-55 (1992)


BindingDB Entry DOI: 10.7270/Q2V69HJ7
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003451
PNG
((Z)-1-Biphenyl-4-yl-3-(hydroxy-methyl-amino)-prope...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003451
PNG
((Z)-1-Biphenyl-4-yl-3-(hydroxy-methyl-amino)-prope...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003426
PNG
(1-(4-Fluoro-phenyl)-3-(hydroxy-phenethyl-amino)-pr...)
Show SMILES ON(CCc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO2/c18-16-8-6-15(7-9-16)17(20)11-13-19(21)12-10-14-4-2-1-3-5-14/h1-9,11,13,21H,10,12H2/b13-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003446
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO2/c17-15-8-6-14(7-9-15)16(19)10-11-18(20)12-13-4-2-1-3-5-13/h1-11,20H,12H2/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003446
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO2/c17-15-8-6-14(7-9-15)16(19)10-11-18(20)12-13-4-2-1-3-5-13/h1-11,20H,12H2/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003455
PNG
((Z)-1-(4-Fluoro-phenyl)-3-(hydroxy-phenyl-amino)-p...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C15H12FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h1-11,19H/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003455
PNG
((Z)-1-(4-Fluoro-phenyl)-3-(hydroxy-phenyl-amino)-p...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C15H12FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h1-11,19H/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003445
PNG
(3-(Hydroxy-methyl-amino)-thioacrylic acid S-naphth...)
Show SMILES CN(O)\C=C/C(=O)Sc1ccc2ccccc2c1
Show InChI InChI=1S/C14H13NO2S/c1-15(17)9-8-14(16)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-10,17H,1H3/b9-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003458
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-b...)
Show SMILES CC(=CC(=O)c1ccc(F)cc1)N(O)Cc1ccccc1 |w:2.2|
Show InChI InChI=1S/C17H16FNO2/c1-13(19(21)12-14-5-3-2-4-6-14)11-17(20)15-7-9-16(18)10-8-15/h2-11,21H,12H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003424
PNG
(3-(Benzyl-hydroxy-amino)-1-biphenyl-4-yl-propenone...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19NO2/c24-22(15-16-23(25)17-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-16,25H,17H2/b16-15-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003458
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-b...)
Show SMILES CC(=CC(=O)c1ccc(F)cc1)N(O)Cc1ccccc1 |w:2.2|
Show InChI InChI=1S/C17H16FNO2/c1-13(19(21)12-14-5-3-2-4-6-14)11-17(20)15-7-9-16(18)10-8-15/h2-11,21H,12H2,1H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003447
PNG
((Z)-3-(Cyclohexyl-hydroxy-amino)-1-(4-fluoro-pheny...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
Show InChI InChI=1S/C15H18FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h6-11,14,19H,1-5H2/b11-10-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003447
PNG
((Z)-3-(Cyclohexyl-hydroxy-amino)-1-(4-fluoro-pheny...)
Show SMILES ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
Show InChI InChI=1S/C15H18FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h6-11,14,19H,1-5H2/b11-10-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50280659
PNG
((Z)-3-(Benzyl-hydroxy-amino)-1-(4-fluoro-phenyl)-2...)
Show SMILES C\C(=C\N(O)Cc1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO2/c1-13(17(20)15-7-9-16(18)10-8-15)11-19(21)12-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3/b13-11-
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003442
PNG
(1-(4-Fluoro-phenyl)-3-(hydroxy-naphthalen-2-ylmeth...)
Show SMILES ON(Cc1ccc2ccccc2c1)\C=C/C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H16FNO2/c21-19-9-7-17(8-10-19)20(23)11-12-22(24)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-13,24H,14H2/b12-11-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


J Med Chem 35: 3148-55 (1992)


BindingDB Entry DOI: 10.7270/Q2V69HJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells


Bioorg Med Chem Lett 2: 1079-1084 (1992)


Article DOI: 10.1016/S0960-894X(00)80622-8
BindingDB Entry DOI: 10.7270/Q2S75G70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003408
PNG
(1-(4-Chloro-phenyl)-3-(hydroxy-methyl-amino)-prope...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H10ClNO2/c1-12(14)7-6-10(13)8-2-4-9(11)5-3-8/h2-7,14H,1H3/b7-6-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003417
PNG
(3-(Benzyl-hydroxy-amino)-1-(3,4-dichloro-phenyl)-p...)
Show SMILES ON(Cc1ccccc1)\C=C/C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H13Cl2NO2/c17-14-7-6-13(10-15(14)18)16(20)8-9-19(21)11-12-4-2-1-3-5-12/h1-10,21H,11H2/b9-8-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50004677
PNG
(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase of RBL-1 cell line


J Med Chem 35: 3148-55 (1992)


BindingDB Entry DOI: 10.7270/Q2V69HJ7
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003452
PNG
(3-[(1-Ethyl-naphthalen-2-yl)-hydroxy-amino]-1-naph...)
Show SMILES CCc1c(ccc2ccccc12)N(O)\C=C/C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H21NO2/c1-2-22-23-10-6-5-8-19(23)13-14-24(22)26(28)16-15-25(27)21-12-11-18-7-3-4-9-20(18)17-21/h3-17,28H,2H2,1H3/b16-15-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003416
PNG
(3-(Hydroxy-phenyl-amino)-1-naphthalen-2-yl-propeno...)
Show SMILES ON(\C=C/C(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(12-13-20(22)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17/h1-14,22H/b13-12-
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Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003438
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-(hydroxy-meth...)
Show SMILES CN(O)\C=C/C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6NO2/c1-19(21)3-2-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18/h2-6,21H,1H3/b3-2-
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n/an/a 910n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003449
PNG
(1-(4-Benzyloxy-phenyl)-3-(hydroxy-methyl-amino)-pr...)
Show SMILES CN(O)\C=C/C(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H17NO3/c1-18(20)12-11-17(19)15-7-9-16(10-8-15)21-13-14-5-3-2-4-6-14/h2-12,20H,13H2,1H3/b12-11-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003411
PNG
(3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-cyclopropy...)
Show SMILES ON(Cc1ccc(cc1)-c1ccccc1)C=CC(=O)C1CC1 |w:15.16|
Show InChI InChI=1S/C19H19NO2/c21-19(18-10-11-18)12-13-20(22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12-13,18,22H,10-11,14H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003466
PNG
(2-[(Benzyl-hydroxy-amino)-methylene]-3,4-dihydro-2...)
Show SMILES ON(Cc1ccccc1)\C=C1\CCc2ccccc2C1=O
Show InChI InChI=1S/C18H17NO2/c20-18-16(11-10-15-8-4-5-9-17(15)18)13-19(21)12-14-6-2-1-3-7-14/h1-9,13,21H,10-12H2/b16-13-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003428
PNG
(1-Cyclopropyl-3-[hydroxy-(4-phenoxy-benzyl)-amino]...)
Show SMILES ON(Cc1ccc(Oc2ccccc2)cc1)C=CC(=O)C1CC1 |w:16.17|
Show InChI InChI=1S/C19H19NO3/c21-19(16-8-9-16)12-13-20(22)14-15-6-10-18(11-7-15)23-17-4-2-1-3-5-17/h1-7,10-13,16,22H,8-9,14H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50003439
PNG
(3-(Hydroxy-methyl-amino)-1-(4-nitro-phenyl)-propen...)
Show SMILES C[N+](=O)C[CH-]C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H10N2O4/c1-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-6H,7H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.


J Med Chem 35: 4061-8 (1992)


BindingDB Entry DOI: 10.7270/Q2BC3XHJ
More data for this
Ligand-Target Pair
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