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PubMed code 1324317

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001170
PNG
(5-ethyloxy-2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-e...)
Show SMILES CCOc1ccc2nc(SCCNC(=O)N(C)O)sc2c1
Show InChI InChI=1S/C13H17N3O3S2/c1-3-19-9-4-5-10-11(8-9)21-13(15-10)20-7-6-14-12(17)16(2)18/h4-5,8,18H,3,6-7H2,1-2H3,(H,14,17)
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n/an/an/an/a 110n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001182
PNG
(2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CC(C)N(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C13H16ClN3O2S2/c1-8(2)17(19)12(18)15-5-6-20-13-16-10-7-9(14)3-4-11(10)21-13/h3-4,7-8,19H,5-6H2,1-2H3,(H,15,18)
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50000540
PNG
(1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazo...)
Show SMILES NC1=NN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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n/an/an/an/a 6.80E+3n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001169
PNG
(2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-ethanamino-N...)
Show SMILES CN(O)C(=O)NCCSc1nc2ccccc2s1
Show InChI InChI=1S/C11H13N3O2S2/c1-14(16)10(15)12-6-7-17-11-13-8-4-2-3-5-9(8)18-11/h2-5,16H,6-7H2,1H3,(H,12,15)
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n/an/an/an/a 90n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001172
PNG
(2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-ethanamino-N...)
Show SMILES CC(C)N(O)C(=O)NCCSc1nc2ccccc2s1
Show InChI InChI=1S/C13H17N3O2S2/c1-9(2)16(18)12(17)14-7-8-19-13-15-10-5-3-4-6-11(10)20-13/h3-6,9,18H,7-8H2,1-2H3,(H,14,17)
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n/an/an/an/a 130n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
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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n/an/an/an/a 470n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001174
PNG
(2-(Benzothiazol-2-ylsulfanyl)-ethylamine-N-hydroxy...)
Show SMILES ONC(=O)NCCSc1nc2ccccc2s1
Show InChI InChI=1S/C10H11N3O2S2/c14-9(13-15)11-5-6-16-10-12-7-3-1-2-4-8(7)17-10/h1-4,15H,5-6H2,(H2,11,13,14)
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n/an/an/an/a 5.20E+3n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001178
PNG
(2-(7-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CN(O)C(=O)NCCSc1nc2cccc(Cl)c2s1
Show InChI InChI=1S/C11H12ClN3O2S2/c1-15(17)10(16)13-5-6-18-11-14-8-4-2-3-7(12)9(8)19-11/h2-4,17H,5-6H2,1H3,(H,13,16)
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n/an/an/an/a 530n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001179
PNG
(3-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-a...)
Show SMILES CN(O)C(=O)\C=C\Sc1nc2ccccc2s1
Show InChI InChI=1S/C11H10N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-7,15H,1H3/b7-6+
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n/an/an/an/a 130n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001184
PNG
(2-(6-Isopropyl-benzothiazol-2-ylsulfanyl)-ethylami...)
Show SMILES CC(C)c1ccc2nc(SCCNC(=O)N(C)O)sc2c1
Show InChI InChI=1S/C14H19N3O2S2/c1-9(2)10-4-5-11-12(8-10)21-14(16-11)20-7-6-15-13(18)17(3)19/h4-5,8-9,19H,6-7H2,1-3H3,(H,15,18)
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n/an/an/an/a 160n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001185
PNG
(2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES ONC(=O)NCCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C10H10ClN3O2S2/c11-6-1-2-8-7(5-6)13-10(18-8)17-4-3-12-9(15)14-16/h1-2,5,16H,3-4H2,(H2,12,14,15)
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n/an/an/an/a 2.45E+4n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001175
PNG
(C-(Benzothiazol-2-ylsulfanyl)-methylamine-N-hydrox...)
Show SMILES CN(O)C(=O)NCSc1nc2ccccc2s1
Show InChI InChI=1S/C10H11N3O2S2/c1-13(15)9(14)11-6-16-10-12-7-4-2-3-5-8(7)17-10/h2-5,15H,6H2,1H3,(H,11,14)
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n/an/an/an/a 1.07E+3n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001176
PNG
(2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CN(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C11H12ClN3O2S2/c1-15(17)10(16)13-4-5-18-11-14-8-6-7(12)2-3-9(8)19-11/h2-3,6,17H,4-5H2,1H3,(H,13,16)
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n/an/an/an/a 20n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001171
PNG
(3-(Benzothiazol-2-ylsulfanyl)-propylamine-N-hydrox...)
Show SMILES CN(O)C(=O)NCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C12H15N3O2S2/c1-15(17)11(16)13-7-4-8-18-12-14-9-5-2-3-6-10(9)19-12/h2-3,5-6,17H,4,7-8H2,1H3,(H,13,16)
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n/an/an/an/a 45n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001168
PNG
(3-(Benzothiazol-2-ylsulfanyl)-propylamine-N-hydrox...)
Show SMILES CC(C)N(O)C(=O)NCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C14H19N3O2S2/c1-10(2)17(19)13(18)15-8-5-9-20-14-16-11-6-3-4-7-12(11)21-14/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,15,18)
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001180
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-a...)
Show SMILES CN(O)C(=O)CSc1nc2ccccc2s1
Show InChI InChI=1S/C10H10N2O2S2/c1-12(14)9(13)6-15-10-11-7-4-2-3-5-8(7)16-10/h2-5,14H,6H2,1H3
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001177
PNG
(2-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CCOc1ccc2nc(SCCNC(=O)N(O)C(C)C)sc2c1
Show InChI InChI=1S/C15H21N3O3S2/c1-4-21-11-5-6-12-13(9-11)23-15(17-12)22-8-7-16-14(19)18(20)10(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,16,19)
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n/an/an/an/a 390n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001186
PNG
(2-(5-Trifluoromethyl-benzothiazol-2-ylsulfanyl)-et...)
Show SMILES CN(O)C(=O)NCCSc1nc2cc(ccc2s1)C(F)(F)F
Show InChI InChI=1S/C12H12F3N3O2S2/c1-18(20)10(19)16-4-5-21-11-17-8-6-7(12(13,14)15)2-3-9(8)22-11/h2-3,6,20H,4-5H2,1H3,(H,16,19)
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n/an/an/an/a 3.20E+3n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001181
PNG
(3-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-p...)
Show SMILES CN(O)C(=O)CCSc1nc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-5,15H,6-7H2,1H3
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n/an/an/an/a 39n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001183
PNG
(3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


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


(Homo sapiens (human))
BDBM50001187
PNG
(3-(5-Chloro-benzothiazol-2-ylsulfanyl)-N-hydroxy-N...)
Show SMILES CN(O)C(=O)CCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C11H11ClN2O2S2/c1-14(16)10(15)4-5-17-11-13-8-6-7(12)2-3-9(8)18-11/h2-3,6,16H,4-5H2,1H3
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n/an/an/an/a 20n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%