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5 similar compounds to monomer 50284754

Compile data set for download or QSAR
Wt: 456.5
BDBM50086884
Wt: 484.6
BDBM50284750
Wt: 456.5
BDBM50284755
Wt: 441.5
BDBM50284756
Wt: 621.8
BDBM50366735

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50086884,50284750,50284755,50284756,50366735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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PubMed
1n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
binding affinity towards HIV-1 Protease enzyme


J Med Chem 43: 1271-81 (2001)


Article DOI: 10.1021/jm990315t
BindingDB Entry DOI: 10.7270/Q23779F5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50086884
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-9-oxo-1,8-di...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21-14-19-16-29(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21,33H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21+/m1/s1
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284755
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H36N4O4/c1-18(2)13-20(16-29(33)17-30)24(31)27-22-14-19-15-28(23-10-6-5-9-21(19)23)12-8-4-3-7-11-26-25(22)32/h5-6,9-10,15,17-18,20,22,33H,3-4,7-8,11-14,16H2,1-2H3,(H,26,32)(H,27,31)/t20-,22+/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
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115n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
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850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
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3.23E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284756
PNG
((R)-5-Methyl-3-((S)-9-oxo-1,8-diaza-tricyclo[10.6....)
Show SMILES CC(C)C[C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C25H35N3O4/c1-17(2)13-18(15-23(29)30)24(31)27-21-14-19-16-28(22-10-6-5-9-20(19)22)12-8-4-3-7-11-26-25(21)32/h5-6,9-10,16-18,21H,3-4,7-8,11-15H2,1-2H3,(H,26,32)(H,27,31)(H,29,30)/t18-,21+/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284750
PNG
((R)-2-[(S)-3-Methyl-1-((S)-9-oxo-1,8-diaza-tricycl...)
Show SMILES CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C27H40N4O4/c1-4-21(27(34)35)29-22(15-18(2)3)26(33)30-23-16-19-17-31(24-12-8-7-11-20(19)24)14-10-6-5-9-13-28-25(23)32/h7-8,11-12,17-18,21-23,29H,4-6,9-10,13-16H2,1-3H3,(H,28,32)(H,30,33)(H,34,35)/t21-,22+,23+/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)
BDBM50366735
PNG
(CHEMBL1793993)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C35H51N5O5/c1-5-23(4)31-35(45)40-20-14-13-19-30(40)34(44)36-27(17-10-8-9-15-25(41)6-2)32(42)37-28(33(43)38-31)21-24-22-39(7-3)29-18-12-11-16-26(24)29/h11-12,16,18,22-23,27-28,30-31H,5-10,13-15,17,19-21H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t23-,27-,28-,30+,31-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...


Bioorg Med Chem Lett 11: 113-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00605-3
BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair