Found 3 hits for monomerid = 50197208 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)) | BDBM50197208
((S)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O8S2/c1-3-4-16-34-20-7-9-21(10-8-20)35(29,30)18-23(22(27)24-28)11-14-25(15-12-23)36(31,32)26-13-5-6-19(26)17-33-2/h7-10,19,28H,5-6,11-18H2,1-2H3,(H,24,27)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | 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)) | BDBM50197208
((S)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O8S2/c1-3-4-16-34-20-7-9-21(10-8-20)35(29,30)18-23(22(27)24-28)11-14-25(15-12-23)36(31,32)26-13-5-6-19(26)17-33-2/h7-10,19,28H,5-6,11-18H2,1-2H3,(H,24,27)/t19-/m0/s1 | 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 | 190 | 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)) | BDBM50197208
((S)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O8S2/c1-3-4-16-34-20-7-9-21(10-8-20)35(29,30)18-23(22(27)24-28)11-14-25(15-12-23)36(31,32)26-13-5-6-19(26)17-33-2/h7-10,19,28H,5-6,11-18H2,1-2H3,(H,24,27)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | 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 | |