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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'ferguson' and Initial = 'ew'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036480
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)16-4-3-5-19-20(16)23(29)28(36(19,31)32)14-35-24(30)21-17(25)6-7-18(22(21)26)34-13-10-27-8-11-33-12-9-27/h3-7,15H,8-14H2,1-2H3
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0.00800n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036478
PNG
(3-Carboxymethoxy-2,6-dichloro-benzoic acid 4-isopr...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCC(O)=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H19Cl2NO9S/c1-10(2)12-6-11(31-3)7-15-17(12)20(27)24(34(15,29)30)9-33-21(28)18-13(22)4-5-14(19(18)23)32-8-16(25)26/h4-7,10H,8-9H2,1-3H3,(H,25,26)
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0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036476
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCN(C)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H27Cl2N3O8S2/c1-14(2)16-11-15(36-4)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)5-6-18(22(21)26)38(32,33)28-9-7-27(3)8-10-28/h5-6,11-12,14H,7-10,13H2,1-4H3
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0.0110n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036477
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
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0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036481
PNG
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H29Cl2N3O8S2/c1-14(2)16-11-15(36-6)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)7-8-18(22(21)26)38(32,33)28(5)10-9-27(3)4/h7-8,11-12,14H,9-10,13H2,1-6H3
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0.0130n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036475
PNG
(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O7S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(37(20,32)33)14-36-25(31)22-18(26)6-7-19(23(22)27)35-11-10-28-8-4-5-9-28/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
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0.0140n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029699
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
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0.0230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286326
PNG
(2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...)
Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50039631
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036482
PNG
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES CC(C)c1cc(O)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Show InChI InChI=1S/C23H25Cl2N3O8S2/c1-13(2)15-10-14(29)11-18-19(15)22(30)28(38(18,34)35)12-36-23(31)20-16(24)4-5-17(21(20)25)37(32,33)27-8-6-26(3)7-9-27/h4-5,10-11,13,29H,6-9,12H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286333
PNG
(5,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES CCCc1c2C(=O)N(CSc3nnnn3-c3ccccc3)S(=O)(=O)c2cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O5S2/c1-4-8-14-17-16(11-15(29-2)18(14)30-3)32(27,28)24(19(17)26)12-31-20-21-22-23-25(20)13-9-6-5-7-10-13/h5-7,9-11H,4,8,12H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029703
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
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0.270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282874
PNG
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282873
PNG
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286327
PNG
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282868
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286329
PNG
(2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286330
PNG
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286328
PNG
(2,6-Dichloro-benzoic acid 6-dimethylamino-4-isopro...)
Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N(C)C
Show InChI InChI=1S/C20H20Cl2N2O5S/c1-11(2)13-8-12(23(3)4)9-16-17(13)19(25)24(30(16,27)28)10-29-20(26)18-14(21)6-5-7-15(18)22/h5-9,11H,10H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286332
PNG
(4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...)
Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(C(C)C)c1OC
Show InChI InChI=1S/C20H21N5O5S2/c1-12(2)16-17-15(10-14(29-3)18(16)30-4)32(27,28)24(19(17)26)11-31-20-21-22-23-25(20)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282878
PNG
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)
Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286331
PNG
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)
Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036479
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036479
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2
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15n/an/an/an/an/an/an/an/a



Sterling Winthrop Inc.

Curated by ChEMBL


Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant


J Med Chem 38: 739-44 (1995)


BindingDB Entry DOI: 10.7270/Q2W66JTD
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282869
PNG
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)
Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282867
PNG
(4-tert-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-y...)
Show SMILES CC(C)(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H19N5O3S2/c1-19(2,3)14-10-7-11-15-16(14)17(25)23(29(15,26)27)12-28-18-20-21-22-24(18)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
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>2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009932
PNG
(4-Ethylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEMB...)
Show SMILES CCSC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C11H14N2OS/c1-2-15-10-8-13(12-11(10)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,14)
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n/an/a 60n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009954
PNG
(1-Phenyl-4-(pyridin-2-ylsulfanyl)-pyrazolidin-3-on...)
Show SMILES O=C1NN(CC1Sc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H13N3OS/c18-14-12(19-13-8-4-5-9-15-13)10-17(16-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,16,18)
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n/an/a 120n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009937
PNG
(1-Phenyl-4-thiophen-2-ylmethyl-pyrazolidin-3-one |...)
Show SMILES O=C1NN(CC1Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C14H14N2OS/c17-14-11(9-13-7-4-8-18-13)10-16(15-14)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,15,17)
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n/an/a 140n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009950
PNG
(4-(2-Ethoxy-ethyl)-1-phenyl-pyrazolidin-3-one | CH...)
Show SMILES CCOCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-2-17-9-8-11-10-15(14-13(11)16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
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n/an/a 150n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009958
PNG
(4-Benzylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEM...)
Show SMILES O=C1NN(CC1SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H16N2OS/c19-16-15(20-12-13-7-3-1-4-8-13)11-18(17-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,19)
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n/an/a 180n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009953
PNG
(1-(3,4-Dichloro-phenyl)-4-(2-methoxy-ethyl)-pyrazo...)
Show SMILES COCCC1CN(NC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H14Cl2N2O2/c1-18-5-4-8-7-16(15-12(8)17)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
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n/an/a 190n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009949
PNG
(4-(2-Methoxy-ethyl)-1-(3-trifluoromethyl-phenyl)-p...)
Show SMILES COCCC1CN(NC1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2O2/c1-20-6-5-9-8-18(17-12(9)19)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
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n/an/a 220n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009955
PNG
(1-(4-Chloro-phenyl)-4-(2-methoxy-ethyl)-pyrazolidi...)
Show SMILES COCCC1CN(NC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClN2O2/c1-17-7-6-9-8-15(14-12(9)16)11-4-2-10(13)3-5-11/h2-5,9H,6-8H2,1H3,(H,14,16)
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n/an/a 250n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009943
PNG
(1-Phenyl-4-propoxymethyl-pyrazolidin-3-one | CHEMB...)
Show SMILES CCCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-2-8-17-10-11-9-15(14-13(11)16)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,16)
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n/an/a 260n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009939
PNG
(4-Ethoxymethyl-1-phenyl-pyrazolidin-3-one | CHEMBL...)
Show SMILES CCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-2-16-9-10-8-14(13-12(10)15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,13,15)
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n/an/a 280n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009940
PNG
(4-Methylsulfanyl-1-phenyl-pyrazolidin-3-one | CHEM...)
Show SMILES CSC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C10H12N2OS/c1-14-9-7-12(11-10(9)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009931
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-pyrazolidin-3-one | C...)
Show SMILES COCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)
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n/an/a 350n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL




J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009934
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-tetrahydro-pyridazin-...)
Show SMILES COCCC1CCN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-17-10-8-11-7-9-15(14-13(11)16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009931
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-pyrazolidin-3-one | C...)
Show SMILES COCCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009956
PNG
(4-(2-Methoxy-ethyl)-5-methyl-1-phenyl-pyrazolidin-...)
Show SMILES COCCC1C(C)N(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O2/c1-10-12(8-9-17-2)13(16)14-15(10)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009944
PNG
(1-(4-Benzyloxy-phenyl)-4-(2-methoxy-ethyl)-pyrazol...)
Show SMILES COCCC1CN(NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O3/c1-23-12-11-16-13-21(20-19(16)22)17-7-9-18(10-8-17)24-14-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,20,22)
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n/an/a 500n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009948
PNG
(4-(2-Methoxy-ethoxymethyl)-1-phenyl-pyrazolidin-3-...)
Show SMILES COCCOCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-17-7-8-18-10-11-9-15(14-13(11)16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,16)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 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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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009941
PNG
(1-Phenyl-tetrahydro-pyridazin-3-one | CHEMBL30110)
Show SMILES O=C1CCCN(N1)c1ccccc1
Show InChI InChI=1S/C10H12N2O/c13-10-7-4-8-12(11-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,13)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009957
PNG
(4-Methoxymethyl-1-phenyl-pyrazolidin-3-one | CHEMB...)
Show SMILES COCC1CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C11H14N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009942
PNG
(4-Methoxymethyl-4-methyl-1-phenyl-pyrazolidin-3-on...)
Show SMILES COCC1(C)CN(NC1=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O2/c1-12(9-16-2)8-14(13-11(12)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009959
PNG
(4-(2-Methoxy-ethyl)-1-phenyl-1H-pyrazol-3-ol | CHE...)
Show SMILES COCCc1cn([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C12H14N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,15)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50009945
PNG
(4-Methoxymethyl-1-phenyl-1H-pyrazol-3-ol | CHEMBL4...)
Show SMILES COCc1cn([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C11H12N2O2/c1-15-8-9-7-13(12-11(9)14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,12,14)
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Sterling Research Group

Curated by ChEMBL


Assay Description
In vitro inhibition of rat 5-Lipoxygenase


J Med Chem 34: 1560-70 (1991)


BindingDB Entry DOI: 10.7270/Q2RV0MPG
More data for this
Ligand-Target Pair
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