Found 169 hits with Last Name = 'minond' and Initial = 'd' 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361639
(CHEMBL1371684)Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 824 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 21: 7180-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361640
(CHEMBL1515648)Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 21: 7180-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM40467
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 21: 7180-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.077 BindingDB Entry DOI: 10.7270/Q27D2VKN |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM16596
(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50203527
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of porcine spleen ADAM17 |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 10
(Homo sapiens (Human)) | BDBM50203527
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human ADAM10 |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM16596
(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM16596
(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50442292
(CHEMBL2442249)Show SMILES CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C23H23ClF3N3O/c1-2-29-10-12-30(13-11-29)21(15-5-7-16(8-6-15)23(25,26)27)18-14-19(24)17-4-3-9-28-20(17)22(18)31/h3-9,14,21,31H,2,10-13H2,1H3 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Eutropics Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari... |
Bioorg Med Chem 21: 6642-9 (2013)
Article DOI: 10.1016/j.bmc.2013.08.017 BindingDB Entry DOI: 10.7270/Q2VH5Q8Q |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361639
(CHEMBL1371684)Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50420775
(CHEMBL581146 | TCMDC-125324)Show InChI InChI=1S/C19H14ClN3O2/c20-14-11-13(19(24)18-12(14)5-3-9-22-18)17(15-6-4-10-25-15)23-16-7-1-2-8-21-16/h1-11,17,24H,(H,21,23) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eutropics Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari... |
Bioorg Med Chem 21: 6642-9 (2013)
Article DOI: 10.1016/j.bmc.2013.08.017 BindingDB Entry DOI: 10.7270/Q2VH5Q8Q |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50442293
(CHEMBL2442248)Show SMILES Cc1ccnc(NC(c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1 Show InChI InChI=1S/C22H17ClFN3O/c1-13-8-10-25-19(11-13)27-20(14-4-6-15(24)7-5-14)17-12-18(23)16-3-2-9-26-21(16)22(17)28/h2-12,20,28H,1H3,(H,25,27) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Eutropics Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari... |
Bioorg Med Chem 21: 6642-9 (2013)
Article DOI: 10.1016/j.bmc.2013.08.017 BindingDB Entry DOI: 10.7270/Q2VH5Q8Q |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50031314
(CHEMBL473326)Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18) | 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 | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50203527
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 772 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human MT1-MMP |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247214
(5-(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)...)Show InChI InChI=1S/C14H10N4OS2/c1-8-10-7-11(12-15-16-14(20)19-12)21-13(10)18(17-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,20) | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50203527
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 in human A549 cells assessed as potentiation of gefitinib-mediated inhibition of cell viability by measuring gefitinib IC50 at 1... |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50442294
(CHEMBL2442247)Show SMILES COc1ccc(cc1)C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C22H18ClN3O2/c1-28-15-9-7-14(8-10-15)20(26-19-6-2-3-11-24-19)17-13-18(23)16-5-4-12-25-21(16)22(17)27/h2-13,20,27H,1H3,(H,24,26) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eutropics Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari... |
Bioorg Med Chem 21: 6642-9 (2013)
Article DOI: 10.1016/j.bmc.2013.08.017 BindingDB Entry DOI: 10.7270/Q2VH5Q8Q |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM29642
(4-[(5-thiophen-2-yl-2-thiophenyl)methylideneamino]...)Show InChI InChI=1S/C15H11NOS2/c17-12-5-3-11(4-6-12)16-10-13-7-8-15(19-13)14-2-1-9-18-14/h1-10,17H/b16-10+ | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104622
(CHEMBL3593550)Show SMILES Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2C[C@@H]2CCCN2C[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)cc1 |r,TLB:56:47:54:50.51.52,THB:52:51:48:54.53.55,52:53:50.51.56:48,56:51:54:47.48.55,46:47:54:50.51.52| Show InChI InChI=1S/C52H61N5O6/c58-46-13-8-34(9-14-46)24-43-30-53-48(60)49(61)56(43)32-42-6-3-18-54(42)31-44(26-36-7-12-40-4-1-2-5-41(40)23-36)57-33-45(25-35-10-15-47(59)16-11-35)55(50(62)51(57)63)19-17-52-27-37-20-38(28-52)22-39(21-37)29-52/h1-2,4-5,7-16,23,37-39,42-45,58-59H,3,6,17-22,24-33H2,(H,53,60)/t37?,38?,39?,42-,43+,44+,45-,52?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 in human A549 cells assessed as potentiation of gefitinib-mediated inhibition of cell viability by measuring gefitinib IC50 at 4... |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247207
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361640
(CHEMBL1515648)Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361639
(CHEMBL1371684)Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50381
(2-[2-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(pyri...)Show SMILES OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eutropics Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polari... |
Bioorg Med Chem 21: 6642-9 (2013)
Article DOI: 10.1016/j.bmc.2013.08.017 BindingDB Entry DOI: 10.7270/Q2VH5Q8Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247209
(5-cyclohexyl-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2...)Show InChI InChI=1S/C17H21N3O3/c21-14-17(13-4-2-1-3-5-13,15(22)20-16(23)19-14)9-6-12-7-10-18-11-8-12/h7-8,10-11,13H,1-6,9H2,(H2,19,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) using amodiaquine substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) using dextromethophan substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50265079
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP2B6 (unknown origin) using bupropion substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50361640
(CHEMBL1515648)Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247466
(CHEMBL462629 | cid_5600879 | ethyl 2-cyano-2-(quin...)Show InChI InChI=1S/C13H11N3O2/c1-2-18-13(17)9(7-14)12-8-15-10-5-3-4-6-11(10)16-12/h3-6,8-9H,2H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50031314
(CHEMBL473326)Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18) | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247261
(5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol...)Show SMILES COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1 Show InChI InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247465
(5-phenyl-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6...)Show InChI InChI=1S/C17H15N3O3/c21-14-17(13-4-2-1-3-5-13,15(22)20-16(23)19-14)9-6-12-7-10-18-11-8-12/h1-5,7-8,10-11H,6,9H2,(H2,19,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50361639
(CHEMBL1371684)Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Translational Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate |
J Med Chem 57: 9598-611 (2014)
Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247262
(3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-...)Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1 Show InChI InChI=1S/C22H19N3O3/c1-14-6-4-5-7-17(14)22-24-20(25-28-22)18-12-13-19(23-21(18)27-3)15-8-10-16(26-2)11-9-15/h4-13H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104622
(CHEMBL3593550)Show SMILES Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2C[C@@H]2CCCN2C[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)cc1 |r,TLB:56:47:54:50.51.52,THB:52:51:48:54.53.55,52:53:50.51.56:48,56:51:54:47.48.55,46:47:54:50.51.52| Show InChI InChI=1S/C52H61N5O6/c58-46-13-8-34(9-14-46)24-43-30-53-48(60)49(61)56(43)32-42-6-3-18-54(42)31-44(26-36-7-12-40-4-1-2-5-41(40)23-36)57-33-45(25-35-10-15-47(59)16-11-35)55(50(62)51(57)63)19-17-52-27-37-20-38(28-52)22-39(21-37)29-52/h1-2,4-5,7-16,23,37-39,42-45,58-59H,3,6,17-22,24-33H2,(H,53,60)/t37?,38?,39?,42-,43+,44+,45-,52?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM40478
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16) | 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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104620
(CHEMBL3593551)Show SMILES CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O |r| Show InChI InChI=1S/C40H55N5O4/c1-2-13-33-26-41-37(46)38(47)44(33)28-34-20-12-22-42(34)27-35(24-31-16-8-4-9-17-31)45-29-36(25-32-18-10-5-11-19-32)43(39(48)40(45)49)23-21-30-14-6-3-7-15-30/h3,5-7,10-11,14-15,18-19,31,33-36H,2,4,8-9,12-13,16-17,20-29H2,1H3,(H,41,46)/t33-,34-,35+,36-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247461
(CHEMBL460516 | N-(2,3-dihydro-1H-inden-5-yl)-2-(5-...)Show InChI InChI=1S/C17H16N6O/c24-16(19-15-5-4-12-2-1-3-14(12)10-15)11-23-21-17(20-22-23)13-6-8-18-9-7-13/h4-10H,1-3,11H2,(H,19,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50247490
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli |
Bioorg Med Chem 17: 990-1005 (2009)
Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104631
(CHEMBL3593541)Show SMILES CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O |r,TLB:50:41:48:44.45.46,THB:46:45:42:48.47.49,46:47:44.45.50:42,50:45:48:41.42.49,40:41:48:44.45.46| Show InChI InChI=1S/C44H59N5O6/c1-2-4-34-25-45-40(52)41(53)48(34)27-35-5-3-15-46(35)26-36(20-29-6-10-38(50)11-7-29)49-28-37(21-30-8-12-39(51)13-9-30)47(42(54)43(49)55)16-14-44-22-31-17-32(23-44)19-33(18-31)24-44/h6-13,31-37,50-51H,2-5,14-28H2,1H3,(H,45,52)/t31?,32?,33?,34-,35-,36-,37+,44?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104621
(CHEMBL3235911)Show SMILES Oc1ccc(C[C@H]2CN([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3[C@@H](Cc4ccccc4)CNC(=O)C3=O)C(=O)C(=O)N2CCc2ccccc2)cc1 |r| Show InChI InChI=1S/C44H55N5O5/c50-40-20-18-35(19-21-40)27-39-31-49(44(54)43(53)47(39)24-22-32-11-4-1-5-12-32)38(26-34-15-8-3-9-16-34)29-46-23-10-17-36(46)30-48-37(28-45-41(51)42(48)52)25-33-13-6-2-7-14-33/h1-2,4-7,11-14,18-21,34,36-39,50H,3,8-10,15-17,22-31H2,(H,45,51)/t36-,37-,38+,39-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104624
(CHEMBL3593548)Show SMILES Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)N2C[C@@H](Cc3ccc4ccccc4c3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)cc1 |r,TLB:59:50:57:53.54.55,THB:49:50:57:53.54.55,55:54:51:57.56.58,55:56:53.54.59:51,59:54:57:50.51.58| Show InChI InChI=1S/C56H63N5O5/c62-51-17-13-37(14-18-51)27-49(34-58-20-5-10-47(58)35-60-48(33-57-52(63)53(60)64)28-38-11-15-43-6-1-3-8-45(43)25-38)61-36-50(29-39-12-16-44-7-2-4-9-46(44)26-39)59(54(65)55(61)66)21-19-56-30-40-22-41(31-56)24-42(23-40)32-56/h1-4,6-9,11-18,25-26,40-42,47-50,62H,5,10,19-24,27-36H2,(H,57,63)/t40?,41?,42?,47-,48+,49-,50+,56?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104623
(CHEMBL3593549)Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50104633
(CHEMBL3593361)Show SMILES CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O |r,TLB:50:41:48:44.45.46,THB:46:45:42:48.47.49,46:47:44.45.50:42,50:45:48:41.42.49,40:41:48:44.45.46| Show InChI InChI=1S/C44H59N5O6/c1-2-4-34-25-45-40(52)41(53)48(34)27-35-5-3-15-46(35)26-36(20-29-6-10-38(50)11-7-29)49-28-37(21-30-8-12-39(51)13-9-30)47(42(54)43(49)55)16-14-44-22-31-17-32(23-44)19-33(18-31)24-44/h6-13,31-37,50-51H,2-5,14-28H2,1H3,(H,45,52)/t31?,32?,33?,34-,35-,36-,37-,44?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
£Florida Atlantic University
Curated by ChEMBL
| Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay |
J Med Chem 58: 5808-24 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00354 BindingDB Entry DOI: 10.7270/Q2MS3VJS |
More data for this Ligand-Target Pair | |