Found 141 hits with Last Name = 'houssin' and Initial = 'r' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089984
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C31H33N3O5S/c1-2-3-21-33-29(36)31(19-9-10-20-31)30(37)34(33)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)40(38,39)32-28(35)25-11-5-4-6-12-25/h4-8,11-18H,2-3,9-10,19-22H2,1H3,(H,32,35) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089996
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)CCCC)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C29H37N3O5S/c1-3-5-13-26(33)30-38(36,37)25-12-8-7-11-24(25)23-16-14-22(15-17-23)21-32-28(35)29(18-9-10-19-29)27(34)31(32)20-6-4-2/h7-8,11-12,14-17H,3-6,9-10,13,18-21H2,1-2H3,(H,30,33) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50119657
(8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089987
(4'-(1,4-Dioxo-3-pentyl-2,3-diaza-spiro[4.4]non-2-y...)Show SMILES CCCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C32H35N3O5S/c1-2-3-11-22-34-30(37)32(20-9-10-21-32)31(38)35(34)23-24-16-18-25(19-17-24)27-14-7-8-15-28(27)41(39,40)33-29(36)26-12-5-4-6-13-26/h4-8,12-19H,2-3,9-11,20-23H2,1H3,(H,33,36) | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089990
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29) | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089990
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29) | PDB
Reactome pathway
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PC sid
UniChem
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089988
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)NC2CCCCC2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C31H40N4O5S/c1-2-3-21-34-28(36)31(19-9-10-20-31)29(37)35(34)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)41(39,40)33-30(38)32-25-11-5-4-6-12-25/h7-8,13-18,25H,2-6,9-12,19-22H2,1H3,(H2,32,33,38) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089986
(4'-(2,4-Dibutyl-4-methyl-3,5-dioxo-pyrazolidin-1-y...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(CCCC)C1=O Show InChI InChI=1S/C32H37N3O5S/c1-4-6-21-32(3)30(37)34(22-7-5-2)35(31(32)38)23-24-17-19-25(20-18-24)27-15-11-12-16-28(27)41(39,40)33-29(36)26-13-9-8-10-14-26/h8-20H,4-7,21-23H2,1-3H3,(H,33,36) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089993
(4'-(1,4-Dioxo-3-propyl-2,3-diaza-spiro[4.4]non-2-y...)Show SMILES CCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C30H31N3O5S/c1-2-20-32-28(35)30(18-8-9-19-30)29(36)33(32)21-22-14-16-23(17-15-22)25-12-6-7-13-26(25)39(37,38)31-27(34)24-10-4-3-5-11-24/h3-7,10-17H,2,8-9,18-21H2,1H3,(H,31,34) | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089992
(4'-(2-Butyl-4,4-dimethyl-3,5-dioxo-pyrazolidin-1-y...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(C)C1=O Show InChI InChI=1S/C29H31N3O5S/c1-4-5-19-31-27(34)29(2,3)28(35)32(31)20-21-15-17-22(18-16-21)24-13-9-10-14-25(24)38(36,37)30-26(33)23-11-7-6-8-12-23/h6-18H,4-5,19-20H2,1-3H3,(H,30,33) | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50119658
(7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089989
(2-Phenyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES O=C1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)N(C(=O)C11CCCC1)c1ccccc1 Show InChI InChI=1S/C27H24N6O2/c34-25-27(16-6-7-17-27)26(35)33(21-8-2-1-3-9-21)32(25)18-19-12-14-20(15-13-19)22-10-4-5-11-23(22)24-28-30-31-29-24/h1-5,8-15H,6-7,16-18H2,(H,28,29,30,31) | PDB
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089982
(2-[2'-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethyl]-3-p-...)Show SMILES Cc1ccc(cc1)N1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C28H26N6O2/c1-19-8-14-22(15-9-19)34-27(36)28(16-4-5-17-28)26(35)33(34)18-20-10-12-21(13-11-20)23-6-2-3-7-24(23)25-29-31-32-30-25/h2-3,6-15H,4-5,16-18H2,1H3,(H,29,30,31,32) | PDB
Reactome pathway
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| 381 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50090000
(CHEMBL88471 | N-[4-(3-Butyl-1,4-dioxo-2,3-diaza-sp...)Show SMILES CCCCN1N(Cc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C26H29N3O5/c1-2-3-16-28-24(33)26(14-6-7-15-26)25(34)29(28)17-18-10-12-19(13-11-18)27-22(30)20-8-4-5-9-21(20)23(31)32/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,27,30)(H,31,32) | PDB
Reactome pathway
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| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089981
(2-Benzyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES O=C1N(Cc2ccccc2)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C11CCCC1 Show InChI InChI=1S/C28H26N6O2/c35-26-28(16-6-7-17-28)27(36)34(33(26)18-20-8-2-1-3-9-20)19-21-12-14-22(15-13-21)23-10-4-5-11-24(23)25-29-31-32-30-25/h1-5,8-15H,6-7,16-19H2,(H,29,30,31,32) | PDB
Reactome pathway
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| 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089991
(2-[4-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-...)Show SMILES CCCCN1N(Cc2ccc(cc2)C(=O)Nc2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C26H29N3O5/c1-2-3-16-28-24(33)26(14-6-7-15-26)25(34)29(28)17-18-10-12-19(13-11-18)22(30)27-21-9-5-4-8-20(21)23(31)32/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,27,30)(H,31,32) | PDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089997
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N2O4/c1-2-3-16-26-23(30)25(14-6-7-15-25)24(31)27(26)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22(28)29/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,28,29) | PDB
Reactome pathway
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UniChem
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| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089998
(2-[4-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-...)Show SMILES CCCCN1N(Cc2ccc(cc2)C(=O)c2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C26H28N2O5/c1-2-3-16-27-24(32)26(14-6-7-15-26)25(33)28(27)17-18-10-12-19(13-11-18)22(29)20-8-4-5-9-21(20)23(30)31/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,30,31) | PDB
Reactome pathway
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PC sid
UniChem
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| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089999
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(N)(=O)=O)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C24H29N3O4S/c1-2-3-16-26-22(28)24(14-6-7-15-24)23(29)27(26)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)32(25,30)31/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H2,25,30,31) | PDB
Reactome pathway
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UniChem
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089994
(3-[4-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-...)Show SMILES CCCCN1N(Cc2ccc(cc2)C(=O)Nc2cccc(c2)C(O)=O)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C26H29N3O5/c1-2-3-15-28-24(33)26(13-4-5-14-26)25(34)29(28)17-18-9-11-19(12-10-18)22(30)27-21-8-6-7-20(16-21)23(31)32/h6-12,16H,2-5,13-15,17H2,1H3,(H,27,30)(H,31,32) | PDB
Reactome pathway
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UniChem
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089995
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2C#N)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H27N3O2/c1-2-3-16-27-23(29)25(14-6-7-15-25)24(30)28(27)18-19-10-12-20(13-11-19)22-9-5-4-8-21(22)17-26/h4-5,8-13H,2-3,6-7,14-16,18H2,1H3 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089983
(2-Biphenyl-4-ylmethyl-3-butyl-2,3-diaza-spiro[4.4]...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C24H28N2O2/c1-2-3-17-25-22(27)24(15-7-8-16-24)23(28)26(25)18-19-11-13-21(14-12-19)20-9-5-4-6-10-20/h4-6,9-14H,2-3,7-8,15-18H2,1H3 | PDB
Reactome pathway
KEGG
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UniChem
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089985
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(C)(C)C)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C28H37N3O4S/c1-5-6-19-30-25(32)28(17-9-10-18-28)26(33)31(30)20-21-13-15-22(16-14-21)23-11-7-8-12-24(23)36(34,35)29-27(2,3)4/h7-8,11-16,29H,5-6,9-10,17-20H2,1-4H3 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50029593
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 | PDB
MMDB
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Reactome pathway
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| PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50110484
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cells |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477671
(CHEMBL250092)Show SMILES O=S1(=O)N(CCCN2CCOCC2)c2ccccc2C(N2CCCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c2ccccc12 Show InChI InChI=1S/C37H43N7O3S/c38-25-30-11-13-31(14-12-30)27-43-29-39-26-32(43)28-41-16-5-17-42(20-19-41)37-33-7-1-3-9-35(33)44(18-6-15-40-21-23-47-24-22-40)48(45,46)36-10-4-2-8-34(36)37/h1-4,7-14,26,29,37H,5-6,15-24,27-28H2 | PDB
MMDB
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| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50108781
(2-{[1-(2-Amino-3-mercapto-propionyl)-piperidin-4-y...)Show SMILES COC(=O)[C@H](CCSC)N(C1CCN(CC1)C(=O)C(N)CS)C(=O)c1ccccc1 Show InChI InChI=1S/C21H31N3O4S2/c1-28-21(27)18(10-13-30-2)24(19(25)15-6-4-3-5-7-15)16-8-11-23(12-9-16)20(26)17(22)14-29/h3-7,16-18,29H,8-14,22H2,1-2H3/t17?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase catalyzed transfer of the FPP moiety to dansyl-GCVLS |
J Med Chem 45: 533-6 (2002)
BindingDB Entry DOI: 10.7270/Q29Z95N2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477675
(CHEMBL376337)Show SMILES COC(=O)[C@H](Cc1ccccc1)N(C1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C34H35N5O3/c1-42-34(41)32(20-26-8-4-2-5-9-26)39(33(40)29-10-6-3-7-11-29)30-16-18-37(19-17-30)24-31-22-36-25-38(31)23-28-14-12-27(21-35)13-15-28/h2-15,22,25,30,32H,16-20,23-24H2,1H3/t32-/m0/s1 | PDB
MMDB
Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477678
(CHEMBL251295)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C31H32N6O2/c32-18-25-11-13-26(14-12-25)21-37-22-34-19-28(37)20-35-27(15-23-7-3-1-4-8-23)17-30(38)36-29(31(33)39)16-24-9-5-2-6-10-24/h1-14,19,22,27,29,35H,15-17,20-21H2,(H2,33,39)(H,36,38)/t27-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50108780
(2-{2-[4-(2-Amino-3-methylsulfanyl-propylamino)-3-m...)Show SMILES CSCCC(NC(=O)[C@H](Cc1ccccc1)NCC[C@@H](C)CNC[C@H](N)CSC)C(O)=O Show InChI InChI=1S/C23H40N4O3S2/c1-17(14-25-15-19(24)16-32-3)9-11-26-21(13-18-7-5-4-6-8-18)22(28)27-20(23(29)30)10-12-31-2/h4-8,17,19-21,25-26H,9-16,24H2,1-3H3,(H,27,28)(H,29,30)/t17-,19+,20?,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase catalyzed transfer of the FPP moiety to dansyl-GCVLS |
J Med Chem 45: 533-6 (2002)
BindingDB Entry DOI: 10.7270/Q29Z95N2 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
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Reactome pathway
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PDB
Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50156581
(3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)pheno...)Show SMILES COc1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C2(CCOCC2)OC)cc1-c1ccccc1 Show InChI InChI=1S/C29H29FN2O4/c1-33-26-10-8-25(9-11-26)32-28(21-6-4-3-5-7-21)19-24(31-32)20-36-27-17-22(16-23(30)18-27)29(34-2)12-14-35-15-13-29/h3-11,16-19H,12-15,20H2,1-2H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477674
(CHEMBL400918)Show SMILES CCCCN1c2ccccc2C(N2CCCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c2ccccc2S1(=O)=O Show InChI InChI=1S/C34H38N6O2S/c1-2-3-19-40-32-11-6-4-9-30(32)34(31-10-5-7-12-33(31)43(40,41)42)38-18-8-17-37(20-21-38)25-29-23-36-26-39(29)24-28-15-13-27(22-35)14-16-28/h4-7,9-16,23,26,34H,2-3,8,17-21,24-25H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50110484
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477670
(CHEMBL400385)Show SMILES CN1c2ccccc2C(N2CCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c2ccccc2S1(=O)=O Show InChI InChI=1S/C30H30N6O2S/c1-33-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)39(33,37)38)35-16-14-34(15-17-35)21-25-19-32-22-36(25)20-24-12-10-23(18-31)11-13-24/h2-13,19,22,30H,14-17,20-21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477676
(CHEMBL251503)Show SMILES CN1c2ccccc2C(N2CCCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c2ccccc2S1(=O)=O Show InChI InChI=1S/C31H32N6O2S/c1-34-29-9-4-2-7-27(29)31(28-8-3-5-10-30(28)40(34,38)39)36-16-6-15-35(17-18-36)22-26-20-33-23-37(26)21-25-13-11-24(19-32)12-14-25/h2-5,7-14,20,23,31H,6,15-18,21-22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477673
(CHEMBL400415)Show SMILES CCCN1c2ccccc2C(N2CCCN(Cc3cncn3Cc3ccc(cc3)C#N)CC2)c2ccccc2S1(=O)=O Show InChI InChI=1S/C33H36N6O2S/c1-2-16-39-31-10-5-3-8-29(31)33(30-9-4-6-11-32(30)42(39,40)41)37-18-7-17-36(19-20-37)24-28-22-35-25-38(28)23-27-14-12-26(21-34)13-15-27/h3-6,8-15,22,25,33H,2,7,16-20,23-24H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50110484
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 2 using osteosarcomes cells |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50048955
((S)-2-[4-((R)-2-Amino-3-mercapto-propionylamino)-b...)Show SMILES CSCC[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)CS)cc1)C(O)=O Show InChI InChI=1S/C15H21N3O4S2/c1-24-7-6-12(15(21)22)18-13(19)9-2-4-10(5-3-9)17-14(20)11(16)8-23/h2-5,11-12,23H,6-8,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of Farnesyltransferase catalyzed transfer of the FPP moiety to dansyl-GCVLS |
J Med Chem 45: 533-6 (2002)
BindingDB Entry DOI: 10.7270/Q29Z95N2 |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50000829
(6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1 Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50110483
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50110485
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1 Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2 |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50156577
(1-(4-aminosulfonylphenyl)-3-[3-fluoro-5-(4-methoxy...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C28H28FN3O5S/c1-35-28(11-13-36-14-12-28)21-15-22(29)17-25(16-21)37-19-23-18-27(20-5-3-2-4-6-20)32(31-23)24-7-9-26(10-8-24)38(30,33)34/h2-10,15-18H,11-14,19H2,1H3,(H2,30,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50110485
(5-(4-Chloro-phenyl)-3-[3-fluoro-5-(4-methoxy-tetra...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccc(Cl)cc3)n(n2)S(N)(=O)=O)c1 Show InChI InChI=1S/C22H23ClFN3O5S/c1-30-22(6-8-31-9-7-22)16-10-18(24)12-20(11-16)32-14-19-13-21(27(26-19)33(25,28)29)15-2-4-17(23)5-3-15/h2-5,10-13H,6-9,14H2,1H3,(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in... |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50156584
(1-(4-methanesulfonylphenyl)-3-[(3,4,5-trimethoxy)p...)Show SMILES COc1cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C26H26N2O6S/c1-31-24-15-21(16-25(32-2)26(24)33-3)34-17-19-14-23(18-8-6-5-7-9-18)28(27-19)20-10-12-22(13-11-20)35(4,29)30/h5-16H,17H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay |
J Med Chem 47: 6195-206 (2004)
Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50477677
(CHEMBL251711)Show SMILES N#Cc1ccc(Cn2cncc2CN2CCCN(CC2)C2c3ccccc3CCc3ccccc23)cc1 Show InChI InChI=1S/C32H33N5/c33-20-25-10-12-26(13-11-25)22-37-24-34-21-29(37)23-35-16-5-17-36(19-18-35)32-30-8-3-1-6-27(30)14-15-28-7-2-4-9-31(28)32/h1-4,6-13,21,24,32H,5,14-19,22-23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of FTase by fluorescence spectrometry technique |
Bioorg Med Chem Lett 17: 5465-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.002
BindingDB Entry DOI: 10.7270/Q2154KTZ |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50110483
(2-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-ph...)Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2nc(c(o2)S(N)(=O)=O)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C22H22F2N2O6S/c1-29-22(6-8-30-9-7-22)15-10-17(24)12-18(11-15)31-13-19-26-20(21(32-19)33(25,27)28)14-2-4-16(23)5-3-14/h2-5,10-12H,6-9,13H2,1H3,(H2,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Innothera
Curated by ChEMBL
| Assay Description
The 5-lipoxygenase activity of the compound was determined by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood. |
Bioorg Med Chem Lett 12: 779-82 (2002)
BindingDB Entry DOI: 10.7270/Q20864MC |
More data for this
Ligand-Target Pair | |
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