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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'schwender' and Initial = 'cf'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037791
PNG
(4-(Hydroxy-{1-[2-(3,4,5-trimethoxy-phenyl)-benzofu...)
Show SMILES COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H29NO8/c1-15(26(29)23(27)7-6-8-24(28)32-4)16-9-10-19-17(11-16)12-20(34-19)18-13-21(30-2)25(33-5)22(14-18)31-3/h9-15,29H,6-8H2,1-5H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037795
PNG
(CHEMBL120885 | Furan-2-carboxylic acid hydroxy-[1-...)
Show SMILES CC(N(O)C(=O)c1ccco1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c1-14(22(24)21(23)19-8-5-11-25-19)16-9-10-18-17(12-16)13-20(26-18)15-6-3-2-4-7-15/h2-14,24H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037807
PNG
(CHEMBL331626 | N-[1-(2-Butyl-benzofuran-5-yl)-ethy...)
Show SMILES CCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037803
PNG
(4-{[1-(2-Butyl-benzofuran-5-yl)-ethyl]-hydroxy-car...)
Show SMILES CCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
Show InChI InChI=1S/C20H27NO5/c1-4-5-7-17-13-16-12-15(10-11-18(16)26-17)14(2)21(24)19(22)8-6-9-20(23)25-3/h10-14,24H,4-9H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037805
PNG
(CHEMBL121025 | N-hydroxy-N-[1-[2-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(N)=O
Show InChI InChI=1S/C20H22N2O6/c1-11(22(24)20(21)23)12-5-6-15-13(7-12)8-16(28-15)14-9-17(25-2)19(27-4)18(10-14)26-3/h5-11,24H,1-4H3,(H2,21,23)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037792
PNG
(CHEMBL122955 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CCOC(=O)CCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-3-27-22(25)12-11-21(24)23(26)15(2)17-9-10-19-18(13-17)14-20(28-19)16-7-5-4-6-8-16/h4-10,13-15,26H,3,11-12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037793
PNG
(4-{Hydroxy-[1-(2-phenyl-benzofuran-5-yl)-ethyl]-ca...)
Show SMILES COC(=O)CCCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C22H23NO5/c1-15(23(26)21(24)9-6-10-22(25)27-2)17-11-12-19-18(13-17)14-20(28-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,26H,6,9-10H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037788
PNG
(CHEMBL421255 | N-Hydroxy-N-{1-[2-(6-methoxy-naphth...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C23H21NO4/c1-14(24(26)15(2)25)16-7-9-22-20(10-16)13-23(28-22)19-5-4-18-12-21(27-3)8-6-17(18)11-19/h4-14,26H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037801
PNG
(4-{[1-(2-Decyl-benzofuran-5-yl)-ethyl]-hydroxy-car...)
Show SMILES CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(=O)CCCC(=O)OC
Show InChI InChI=1S/C26H39NO5/c1-4-5-6-7-8-9-10-11-13-23-19-22-18-21(16-17-24(22)32-23)20(2)27(30)25(28)14-12-15-26(29)31-3/h16-20,30H,4-15H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037789
PNG
(CHEMBL332395 | N-Hydroxy-2-methoxy-N-[1-(2-phenyl-...)
Show SMILES COCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO4/c1-13(20(22)19(21)12-23-2)15-8-9-17-16(10-15)11-18(24-17)14-6-4-3-5-7-14/h3-11,13,22H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037796
PNG
(Acetic acid {hydroxy-[1-(2-phenyl-benzofuran-5-yl)...)
Show SMILES CC(N(O)C(=O)COC(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO5/c1-13(21(24)20(23)12-25-14(2)22)16-8-9-18-17(10-16)11-19(26-18)15-6-4-3-5-7-15/h3-11,13,24H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037797
PNG
(CHEMBL123396 | N-Hydroxy-3,4-dimethoxy-N-[1-(2-phe...)
Show SMILES COc1ccc(cc1OC)C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5/c1-16(26(28)25(27)19-10-12-22(29-2)24(14-19)30-3)18-9-11-21-20(13-18)15-23(31-21)17-7-5-4-6-8-17/h4-16,28H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037806
PNG
(CHEMBL123177 | Thiophene-2-carboxylic acid hydroxy...)
Show SMILES CC(N(O)C(=O)c1cccs1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C21H17NO3S/c1-14(22(24)21(23)20-8-5-11-26-20)16-9-10-18-17(12-16)13-19(25-18)15-6-3-2-4-7-15/h2-14,24H,1H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037794
PNG
(CHEMBL331060 | N-Hydroxy-N-{1-[2-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C21H23NO6/c1-12(22(24)13(2)23)14-6-7-17-15(8-14)9-18(28-17)16-10-19(25-3)21(27-5)20(11-16)26-4/h6-12,24H,1-5H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
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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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022683
PNG
(CHEMBL418304 | N-[1-(4-Benzyloxy-phenyl)-ethyl]-N-...)
Show SMILES CC(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H19NO3/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037790
PNG
(CHEMBL331881 | N-[1-(2-Decyl-benzofuran-5-yl)-ethy...)
Show SMILES CCCCCCCCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
Show InChI InChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-21-16-20-15-19(13-14-22(20)26-21)17(2)23(25)18(3)24/h13-17,25H,4-12H2,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037799
PNG
(CHEMBL123649 | N-Hydroxy-N-[1-(4-phenethyloxy-phen...)
Show SMILES CC(N(O)C(C)=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C18H21NO3/c1-14(19(21)15(2)20)17-8-10-18(11-9-17)22-13-12-16-6-4-3-5-7-16/h3-11,14,21H,12-13H2,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037798
PNG
(CHEMBL121390 | N-hydroxy-N-[1-(2-phinyl-5-benzofur...)
Show SMILES CC(N(O)C(N)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3/c1-11(19(21)17(18)20)13-7-8-15-14(9-13)10-16(22-15)12-5-3-2-4-6-12/h2-11,21H,1H3,(H2,18,20)
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037787
PNG
(CHEMBL332814 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CC(N(O)C(C)=O)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-12(19(21)13(2)20)15-8-9-17-16(10-15)11-18(22-17)14-6-4-3-5-7-14/h3-12,21H,1-2H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022697
PNG
(CHEMBL62114 | N-Hydroxy-N-{1-[4-(1-phenyl-ethoxy)-...)
Show SMILES CC(Oc1ccc(cc1)C(C)N(O)C(C)=O)c1ccccc1
Show InChI InChI=1S/C18H21NO3/c1-13(19(21)15(3)20)16-9-11-18(12-10-16)22-14(2)17-7-5-4-6-8-17/h4-14,21H,1-3H3
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R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037804
PNG
(2,N-Dihydroxy-N-[1-(2-phenyl-benzofuran-5-yl)-ethy...)
Show SMILES CC(N(O)C(=O)CO)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12(19(22)18(21)11-20)14-7-8-16-15(9-14)10-17(23-16)13-5-3-2-4-6-13/h2-10,12,20,22H,11H2,1H3
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n/an/a 700n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50240513
PNG
((1-Benzoyl-1-naphthalen-1-yl-2-oxo-2-phenyl-ethyl)...)
Show SMILES OP(O)(=O)C(C(=O)c1ccccc1)(C(=O)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H19O5P/c26-23(19-11-3-1-4-12-19)25(31(28,29)30,24(27)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H,(H2,28,29,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037802
PNG
(CHEMBL120107 | N-Hydroxy-2,6-dimethoxy-N-[1-(2-phe...)
Show SMILES COc1cccc(OC)c1C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO5/c1-16(26(28)25(27)24-21(29-2)10-7-11-22(24)30-3)18-12-13-20-19(14-18)15-23(31-20)17-8-5-4-6-9-17/h4-16,28H,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50037800
PNG
(CHEMBL121555 | N-Hydroxy-N-[1-(2-phenyl-benzofuran...)
Show SMILES CC(N(O)C(=O)c1ccccc1)c1ccc2oc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C23H19NO3/c1-16(24(26)23(25)18-10-6-3-7-11-18)19-12-13-21-20(14-19)15-22(27-21)17-8-4-2-5-9-17/h2-16,26H,1H3
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n/an/a 4.83E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay


J Med Chem 37: 3663-7 (1994)


BindingDB Entry DOI: 10.7270/Q27943Q2
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50139758
PNG
((2-Naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-...)
Show SMILES OP(O)(=O)C(C(=O)c1ccc2ccccc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))
BDBM50090113
PNG
((S)-2-(2-Hydroxy-5-nitro-benzylamino)-N-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C21H27N3O4/c1-15(2)10-11-22-21(26)19(12-16-6-4-3-5-7-16)23-14-17-13-18(24(27)28)8-9-20(17)25/h3-9,13,15,19,23,25H,10-12,14H2,1-2H3,(H,22,26)/t19-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Millennium Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells


Bioorg Med Chem Lett 10: 1497-9 (2000)


BindingDB Entry DOI: 10.7270/Q2DN4493
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284958
PNG
((2-Biphenyl-4-yl-1-naphthalen-1-yl-ethyl)-phosphon...)
Show SMILES OP(O)(=O)C(Cc1ccc(cc1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C24H21O3P/c25-28(26,27)24(23-12-6-10-21-9-4-5-11-22(21)23)17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-16,24H,17H2,(H2,25,26,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))
BDBM50090117
PNG
((S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-pro...)
Show SMILES CC(C)CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C21H26N2O5/c1-15(2)10-11-28-21(25)19(12-16-6-4-3-5-7-16)22-14-17-13-18(23(26)27)8-9-20(17)24/h3-9,13,15,19,22,24H,10-12,14H2,1-2H3/t19-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Millennium Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells


Bioorg Med Chem Lett 10: 1497-9 (2000)


BindingDB Entry DOI: 10.7270/Q2DN4493
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))
BDBM50090108
PNG
((S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-pro...)
Show SMILES Oc1ccc(cc1CN[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N2O5/c26-22-12-11-20(25(28)29)14-19(22)15-24-21(13-17-7-3-1-4-8-17)23(27)30-16-18-9-5-2-6-10-18/h1-12,14,21,24,26H,13,15-16H2/t21-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Millennium Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells


Bioorg Med Chem Lett 10: 1497-9 (2000)


BindingDB Entry DOI: 10.7270/Q2DN4493
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288643
PNG
(CHEMBL106132 | [Phenyl-(2-trifluoromethyl-phenyl)-...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C14H12F3O3P/c15-14(16,17)12-9-5-4-8-11(12)13(21(18,19)20)10-6-2-1-3-7-10/h1-9,13H,(H2,18,19,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))
BDBM50090119
PNG
((S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-pro...)
Show SMILES CC(C)(C)COC(=O)[C@H](Cc1ccccc1)NCc1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C21H26N2O5/c1-21(2,3)14-28-20(25)18(11-15-7-5-4-6-8-15)22-13-16-12-17(23(26)27)9-10-19(16)24/h4-10,12,18,22,24H,11,13-14H2,1-3H3/t18-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Millennium Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells


Bioorg Med Chem Lett 10: 1497-9 (2000)


BindingDB Entry DOI: 10.7270/Q2DN4493
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284955
PNG
(CHEMBL416111 | [1-(4-Chloro-benzyl)-2-(4-chloro-ph...)
Show SMILES OP(O)(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H21Cl2O3P/c26-21-12-8-18(9-13-21)16-25(31(28,29)30,17-19-10-14-22(27)15-11-19)24-7-3-5-20-4-1-2-6-23(20)24/h1-15H,16-17H2,(H2,28,29,30)
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n/an/a 9.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284954
PNG
(CHEMBL53536 | [2-Cyclohexyl-1-(2-methyl-naphthalen...)
Show SMILES Cc1ccc2ccccc2c1C(CC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C19H25O3P/c1-14-11-12-16-9-5-6-10-17(16)19(14)18(23(20,21)22)13-15-7-3-2-4-8-15/h5-6,9-12,15,18H,2-4,7-8,13H2,1H3,(H2,20,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284957
PNG
((2-Cyclohexyl-1-naphthalen-1-yl-ethyl)-phosphonic ...)
Show SMILES OP(O)(=O)C(CC1CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C18H23O3P/c19-22(20,21)18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h4-6,9-12,14,18H,1-3,7-8,13H2,(H2,19,20,21)
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n/an/a 1.14E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226906
PNG
(CHEMBL30001)
Show SMILES COc1cc2nc(O)nc(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H16N2O3/c1-21-15-9-12-13(8-11-6-4-3-5-7-11)18-17(20)19-14(12)10-16(15)22-2/h3-7,9-10H,8H2,1-2H3,(H,18,19,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.875 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288649
PNG
((1,3-Diphenyl-propyl)-phosphonic acid | CHEMBL1062...)
Show SMILES OP(O)(=O)C(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17O3P/c16-19(17,18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,16,17,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288656
PNG
((Phenyl-m-tolyl-methyl)-phosphonic acid | CHEMBL71...)
Show SMILES Cc1cccc(c1)C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H15O3P/c1-11-6-5-9-13(10-11)14(18(15,16)17)12-7-3-2-4-8-12/h2-10,14H,1H3,(H2,15,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226909
PNG
(CHEMBL31133)
Show SMILES COc1cc2nc(O)nc(-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C16H14N2O3/c1-20-13-8-11-12(9-14(13)21-2)17-16(19)18-15(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against canine cardiac fraction III cyclic AMP phosphodiesterase (PDE III) at 8.75 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288653
PNG
(CHEMBL104125 | [(3-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H12ClO3P/c14-12-8-4-7-11(9-12)13(18(15,16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,15,16,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288651
PNG
((2-Biphenyl-4-yl-1-phenyl-ethyl)-phosphonic acid |...)
Show SMILES OP(O)(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19O3P/c21-24(22,23)20(19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14,20H,15H2,(H2,21,22,23)
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226910
PNG
(Bemarinone)
Show SMILES COc1ccc2[nH]c(=O)nc(C)c2c1OC
Show InChI InChI=1S/C11H12N2O3/c1-6-9-7(13-11(14)12-6)4-5-8(15-2)10(9)16-3/h4-5H,1-3H3,(H,12,13,14)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 0.875 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288665
PNG
(CHEMBL322700 | [(3-Nitro-phenyl)-phenyl-methyl]-ph...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H12NO5P/c15-14(16)12-8-4-7-11(9-12)13(20(17,18)19)10-5-2-1-3-6-10/h1-9,13H,(H2,17,18,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226908
PNG
(CHEMBL30387)
Show SMILES CCc1nc(O)nc2ccc(OC)c(OC)c12
Show InChI InChI=1S/C12H14N2O3/c1-4-7-10-8(14-12(15)13-7)5-6-9(16-2)11(10)17-3/h5-6H,4H2,1-3H3,(H,13,14,15)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.875 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226905
PNG
(CHEMBL1743762)
Show SMILES Br.Cc1nc(O)nc2ccc(O)c(O)c12
Show InChI InChI=1S/C9H8N2O3/c1-4-7-5(11-9(14)10-4)2-3-6(12)8(7)13/h2-3,12-13H,1H3,(H,10,11,14)
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against canine cardiac fraction III cyclic AMP phosphodiesterase (PDE III) at 8.75 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284959
PNG
(CHEMBL300425 | [2-(4-Chloro-phenyl)-1-naphthalen-1...)
Show SMILES OP(O)(=O)C(Cc1ccc(Cl)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C18H16ClO3P/c19-15-10-8-13(9-11-15)12-18(23(20,21)22)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H2,20,21,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50284956
PNG
((1-Naphthalen-1-yl-2-phenyl-ethyl)-phosphonic acid...)
Show SMILES OP(O)(=O)C(Cc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C18H17O3P/c19-22(20,21)18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18H,13H2,(H2,19,20,21)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve


Bioorg Med Chem Lett 5: 1801-1806 (1995)


Article DOI: 10.1016/0960-894X(95)00299-9
BindingDB Entry DOI: 10.7270/Q2CC10NQ
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226907
PNG
(CHEMBL30636)
Show SMILES COc1cc2nc(O)nc(C3CCCC3)c2cc1OC
Show InChI InChI=1S/C15H18N2O3/c1-19-12-7-10-11(8-13(12)20-2)16-15(18)17-14(10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,16,17,18)
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against canine cardiac fraction III cyclic AMP phosphodiesterase (PDE III) at 8.75 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288666
PNG
((9H-Xanthen-9-yl)-phosphonic acid | CHEMBL106688)
Show SMILES OP(O)(O)=c1c2ccccc2oc2ccccc12
Show InChI InChI=1S/C13H11O4P/c14-18(15,16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,14-16H
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50226913
PNG
(CHEMBL30542)
Show SMILES COc1cc(OC)c2c(C)nc(O)nc2c1
Show InChI InChI=1S/C11H12N2O3/c1-6-10-8(13-11(14)12-6)4-7(15-2)5-9(10)16-3/h4-5H,1-3H3,(H,12,13,14)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against canine cardiac fraction III cyclic AMP phosphodiesterase (PDE III) at 8.75 mg/kg intravenous dose


J Med Chem 30: 1421-6 (1987)


BindingDB Entry DOI: 10.7270/Q21J9D0T
More data for this
Ligand-Target Pair
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