Found 1789 hits with Last Name = 'hansch' and Initial = 'c' 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 |
Thymidylate synthase
(Lactobacillus casei) | BDBM50022238
((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 0.00100 | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to amethopterin-resistant Lactobacillus casei thymidylate synthetase in presence of cofactor permitting covalent bond formation |
J Med Chem 20: 1469-73 (1977)
BindingDB Entry DOI: 10.7270/Q2P55Q1K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of dihydrofolate reductase (DHFR) from Leishmania major |
J Med Chem 30: 1218-24 (1987)
Checked by Author BindingDB Entry DOI: 10.7270/Q21V5FJ0 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061349
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061345
(CHEMBL129927 | [2-(3,4-Dimethyl-phenoxy)-ethyl]-(3...)Show InChI InChI=1S/C19H25NO2/c1-16-9-10-19(15-17(16)2)22-14-12-20-11-6-13-21-18-7-4-3-5-8-18/h3-5,7-10,15,20H,6,11-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061351
((3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine | CH...)Show InChI InChI=1S/C18H23NO2/c1-16-7-5-10-18(15-16)21-14-12-19-11-6-13-20-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061334
(CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...)Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061339
(CHEMBL132884 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)Show InChI InChI=1S/C17H20ClNO2/c18-15-7-9-17(10-8-15)21-14-12-19-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061332
((3-Phenoxy-propyl)-(2-p-tolyloxy-ethyl)-amine | CH...)Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)21-15-13-19-12-5-14-20-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50086781
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50088118
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50088118
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50086781
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160851
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11341
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11348
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100812
(2-(N-(2-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061330
(CHEMBL129757 | [2-(4-Chloro-phenoxy)-ethyl]-[3-(4-...)Show InChI InChI=1S/C17H19ClFNO2/c18-14-2-6-16(7-3-14)22-13-11-20-10-1-12-21-17-8-4-15(19)5-9-17/h2-9,20H,1,10-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11336
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061325
(CHEMBL131357 | [3-(4-Fluoro-phenoxy)-propyl]-(2-p-...)Show InChI InChI=1S/C18H22FNO2/c1-15-3-7-17(8-4-15)22-14-12-20-11-2-13-21-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100812
(2-(N-(2-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11348
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C19H19F5N2O4S/c1-10(2)8-12(19(27)25-28)26(9-11-6-4-3-5-7-11)31(29,30)18-16(23)14(21)13(20)15(22)17(18)24/h3-7,10,12,28H,8-9H2,1-2H3,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061324
((2-p-Tolyloxy-ethyl)-(3-o-tolyloxy-propyl)-amine |...)Show InChI InChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50058234
(CHEMBL300956 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...)Show InChI InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11330
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061327
((2-p-Tolyloxy-ethyl)-(3-m-tolyloxy-propyl)-amine |...)Show InChI InChI=1S/C19H25NO2/c1-16-7-9-18(10-8-16)22-14-12-20-11-4-13-21-19-6-3-5-17(2)15-19/h3,5-10,15,20H,4,11-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11341
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160849
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C21H17N3O7/c1-30-17(26)12-2-6-14(7-3-12)31-15-8-4-13(5-9-15)24-16(25)10-11-21(24)18(27)22-20(29)23-19(21)28/h2-9H,10-11H2,1H3,(H2,22,23,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11349
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli |
J Med Chem 24: 538-44 (1981)
BindingDB Entry DOI: 10.7270/Q2GF0WQM |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50423402
(CHEMBL122711)Show SMILES ONC(=O)CN(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-3-1-2-4-8(7)23(26)27/h1-4,25H,5-6H2,(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells |
J Med Chem 25: 777-84 (1982)
BindingDB Entry DOI: 10.7270/Q2WH2S6T |
More data for this Ligand-Target Pair | |
Alcohol dehydrogenase S chain
(Equus caballus) | BDBM50226204
(CHEMBL160460)Show InChI InChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH) |
J Med Chem 29: 615-20 (1986)
BindingDB Entry DOI: 10.7270/Q22R3TV3 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50086801
(2-(N-(4-nitrobenzyl)-2,2,12,12,15,15,18,18,18-nona...)Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-2-4-9(5-3-8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11336
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50423402
(CHEMBL122711)Show SMILES ONC(=O)CN(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-3-1-2-4-8(7)23(26)27/h1-4,25H,5-6H2,(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50088128
(2-(N-(4-nitrobenzyl)-4,4,12,12,15,15,18,18,18-nona...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11363
(2-{[(2-chlorophenyl)methyl](2,3,4,5,6-pentafluorob...)Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11330
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50086801
(2-(N-(4-nitrobenzyl)-2,2,12,12,15,15,18,18,18-nona...)Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12F9N3O6S/c1-7(10(27)24-28)25(6-8-2-4-9(5-3-8)26(29)30)33(31,32)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-5,7,28H,6H2,1H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11363
(2-{[(2-chlorophenyl)methyl](2,3,4,5,6-pentafluorob...)Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C16H12ClF5N2O4S/c1-7(16(25)23-26)24(6-8-4-2-3-5-9(8)17)29(27,28)15-13(21)11(19)10(18)12(20)14(15)22/h2-5,7,26H,6H2,1H3,(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Lactobacillus casei) | BDBM50291776
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) |
J Med Chem 24: 1422-9 (1981)
BindingDB Entry DOI: 10.7270/Q2VM4FF9 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11347
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)Show SMILES CC(C)CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C17H19F9N2O4S/c1-10(2)8-12(13(29)27-30)28(9-11-6-4-3-5-7-11)33(31,32)17(25,26)15(20,21)14(18,19)16(22,23)24/h3-7,10,12,30H,8-9H2,1-2H3,(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50088128
(2-(N-(4-nitrobenzyl)-4,4,12,12,15,15,18,18,18-nona...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061346
((2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine | CHEMB...)Show InChI InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined |
Bioorg Med Chem Lett 15: 2149-57 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11342
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C16H17F9N2O4S/c1-9(2)11(12(28)26-29)27(8-10-6-4-3-5-7-10)32(30,31)16(24,25)14(19,20)13(17,18)15(21,22)23/h3-7,9,11,29H,8H2,1-2H3,(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |
Alcohol dehydrogenase S chain
(Equus caballus) | BDBM50226167
(CHEMBL156094)Show InChI InChI=1S/C8H14N2/c1-2-3-4-5-8-6-9-10-7-8/h6-7H,2-5H2,1H3,(H,9,10) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH) |
J Med Chem 29: 615-20 (1986)
BindingDB Entry DOI: 10.7270/Q22R3TV3 |
More data for this Ligand-Target Pair | |