Found 3 hits for monomerid = 50197216 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50197216
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(1,2...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1cn(C)c(C)n1)C(=O)NO Show InChI InChI=1S/C22H28N4O7S2/c1-4-5-14-33-18-6-8-19(9-7-18)34(29,30)16-22(21(27)24-28)10-12-26(13-11-22)35(31,32)20-15-25(3)17(2)23-20/h6-9,15,28H,10-14,16H2,1-3H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50197216
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(1,2...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1cn(C)c(C)n1)C(=O)NO Show InChI InChI=1S/C22H28N4O7S2/c1-4-5-14-33-18-6-8-19(9-7-18)34(29,30)16-22(21(27)24-28)10-12-26(13-11-22)35(31,32)20-15-25(3)17(2)23-20/h6-9,15,28H,10-14,16H2,1-3H3,(H,24,27) | 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 | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50197216
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(1,2...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1cn(C)c(C)n1)C(=O)NO Show InChI InChI=1S/C22H28N4O7S2/c1-4-5-14-33-18-6-8-19(9-7-18)34(29,30)16-22(21(27)24-28)10-12-26(13-11-22)35(31,32)20-15-25(3)17(2)23-20/h6-9,15,28H,10-14,16H2,1-3H3,(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of TACE in human whole blood assay |
Bioorg Med Chem Lett 17: 34-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M |
More data for this Ligand-Target Pair | |