Found 10 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50441213' 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 |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
San Raffaele Scientific Institute
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay |
Eur J Med Chem 111: 193-201 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.053 BindingDB Entry DOI: 10.7270/Q2765H73 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
San Raffaele Scientific Institute
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA |
Eur J Med Chem 111: 193-201 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.053 BindingDB Entry DOI: 10.7270/Q2765H73 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 274 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 349 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
San Raffaele Scientific Institute
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA |
Eur J Med Chem 111: 193-201 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.053 BindingDB Entry DOI: 10.7270/Q2765H73 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 5.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 7.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50441213
(CHEMBL2431027)Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r| Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured... |
J Med Chem 56: 8089-103 (2013)
Article DOI: 10.1021/jm4011753 BindingDB Entry DOI: 10.7270/Q2DR2WZ0 |
More data for this Ligand-Target Pair | |