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10 similar compounds to monomer 50091330

Wt: 357.4
BDBM50006814
Wt: 440.4
BDBM50006802
Wt: 356.3
BDBM50052022
Wt: 540.5
BDBM50091355
Wt: 510.5
BDBM50091363
Wt: 489.6
BDBM50091323
Wt: 467.5
BDBM50091329
Wt: 409.9
BDBM50091332
Wt: 202.2
BDBM50091337
Wt: 544.5
BDBM50091351

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50006814,50006802,50052022,50091355,50091363,50091323,50091329,50091332,50091337,50091351   
Target
(Institution)
LigandTarget
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091351
PNG
(CHEMBL3582269)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C26H24N8O6/c1-38-21-11-16-17(12-22(21)39-2)28-26(29-23(16)27)33-7-5-32(6-8-33)24(36)18-13-34(31-30-18)19-9-14-3-4-15(35)10-20(14)40-25(19)37/h3-4,9-13,35H,5-8H2,1-2H3,(H2,27,28,29)
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1.30n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091337
PNG
(CHEMBL3582265)
Show SMILES C[C@H](Cc1ccccc1C)C1=NCCN1
Show InChI InChI=1/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)/t11-/s2
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1.05E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cysteinyl leukotriene D4 receptor antagonist in guinea pig lung membranes


J Med Chem 35: 2501-24 (1992)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase translocation inhibitor in RBL-2H3 cells


J Med Chem 35: 2501-24 (1992)

More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006802
PNG
(CHEMBL3236952)
Show SMILES Cc1c(-c2cn(Cc3ccccc3)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C27H21FN2O3/c1-17-26(22-13-19(28)11-12-24(22)30(17)16-25(31)32)23-15-29(14-18-7-3-2-4-8-18)27(33)21-10-6-5-9-20(21)23/h2-13,15H,14,16H2,1H3,(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 2.74E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using testosterone as substrate after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091351
PNG
(CHEMBL3582269)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C26H24N8O6/c1-38-21-11-16-17(12-22(21)39-2)28-26(29-23(16)27)33-7-5-32(6-8-33)24(36)18-13-34(31-30-18)19-9-14-3-4-15(35)10-20(14)40-25(19)37/h3-4,9-13,35H,5-8H2,1-2H3,(H2,27,28,29)
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n/an/a<5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 8.54E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens)
BDBM50091332
PNG
(CHEMBL3582254)
Show SMILES C[C@@H](NCc1ccc(OCc2cccc(c2C)-c2ccccc2)c(Cl)c1)C(O)=O
Show InChI InChI=1/C24H24ClNO3/c1-16-20(9-6-10-21(16)19-7-4-3-5-8-19)15-29-23-12-11-18(13-22(23)25)14-26-17(2)24(27)28/h3-13,17,26H,14-15H2,1-2H3,(H,27,28)/t17-/s2
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n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...


ACS Med Chem Lett 6: 489-90 (2015)

More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1


(Homo sapiens)
BDBM50091329
PNG
(CHEMBL3582257)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(CO)(CO)CO
Show InChI InChI=1S/C27H33NO6/c1-19-21(10-7-11-23(19)20-8-5-4-6-9-20)15-34-22-12-25(32-2)24(26(13-22)33-3)14-28-27(16-29,17-30)18-31/h4-13,28-31H,14-18H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...


ACS Med Chem Lett 6: 489-90 (2015)

More data for this
Ligand-Target Pair
Alpha-1d adrenergic receptor


(HUMAN)
BDBM50091351
PNG
(CHEMBL3582269)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C26H24N8O6/c1-38-21-11-16-17(12-22(21)39-2)28-26(29-23(16)27)33-7-5-32(6-8-33)24(36)18-13-34(31-30-18)19-9-14-3-4-15(35)10-20(14)40-25(19)37/h3-4,9-13,35H,5-8H2,1-2H3,(H2,27,28,29)
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n/an/a<5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 4.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using midazolam as substrate after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091351
PNG
(CHEMBL3582269)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C26H24N8O6/c1-38-21-11-16-17(12-22(21)39-2)28-26(29-23(16)27)33-7-5-32(6-8-33)24(36)18-13-34(31-30-18)19-9-14-3-4-15(35)10-20(14)40-25(19)37/h3-4,9-13,35H,5-8H2,1-2H3,(H2,27,28,29)
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n/an/a 2.5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50091323
PNG
(CHEMBL3582243)
Show SMILES CC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show InChI InChI=1/C32H43NO3/c1-19(34)32-13-11-27(2,3)17-21(32)25-22(35)15-24-29(6)16-20(18-33)26(36)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3/t21-,23-,25-,29-,30+,31+,32+/s2
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n/an/a 1.98E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 after 1 hr by LC-MS/MS analysis


J Med Chem 58: 4506-20 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091355
PNG
(CHEMBL3582303)
Show SMILES Fc1cc(F)cc(CNC(=O)c2ccc(cc2F)-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
Show InChI InChI=1S/C31H20F4N4O/c32-23-9-19(10-24(33)14-23)15-38-31(40)26-5-4-20(12-27(26)34)22-13-28(35)30-37-16-25(39(30)17-22)11-18-3-6-29-21(8-18)2-1-7-36-29/h1-10,12-14,16-17H,11,15H2,(H,38,40)
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n/an/a 4.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50006814
PNG
(2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-propi...)
Show SMILES CC(C(O)=O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26)
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n/an/a 130n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS] (in vitro)


J Med Chem 35: 2501-24 (1992)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50091363
PNG
(CHEMBL3582295)
Show SMILES Fc1cc(ccc1C(=O)N1CCC2(COC2)C1)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
Show InChI InChI=1S/C30H24F2N4O2/c31-25-12-20(4-5-24(25)29(37)35-9-7-30(16-35)17-38-18-30)22-13-26(32)28-34-14-23(36(28)15-22)11-19-3-6-27-21(10-19)2-1-8-33-27/h1-6,8,10,12-15H,7,9,11,16-18H2
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n/an/a 21n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
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PubMed
n/an/a 100n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS]


J Med Chem 35: 2501-24 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50052022
PNG
((S)-2-[7-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES C[C@H](C([O-])=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C23H19NO3/c1-15(23(25)26)18-7-6-16-9-11-21(13-19(16)12-18)27-14-20-10-8-17-4-2-3-5-22(17)24-20/h2-13,15H,14H2,1H3,(H,25,26)/p-1/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]


J Med Chem 35: 2501-24 (1992)

More data for this
Ligand-Target Pair