Found 3 hits for monomerid = 50197219 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50197219
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CCC(CC)S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C22H32N2O7S2/c1-4-7-16-31-18-8-10-20(11-9-18)32(27,28)17-22(21(25)23-26)12-14-24(15-13-22)33(29,30)19(5-2)6-3/h8-11,19,26H,5-6,12-17H2,1-3H3,(H,23,25) | 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 | 136 | 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)) | BDBM50197219
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CCC(CC)S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C22H32N2O7S2/c1-4-7-16-31-18-8-10-20(11-9-18)32(27,28)17-22(21(25)23-26)12-14-24(15-13-22)33(29,30)19(5-2)6-3/h8-11,19,26H,5-6,12-17H2,1-3H3,(H,23,25) | 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 | 1.20 | 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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50197219
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)Show SMILES CCC(CC)S(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C22H32N2O7S2/c1-4-7-16-31-18-8-10-20(11-9-18)32(27,28)17-22(21(25)23-26)12-14-24(15-13-22)33(29,30)19(5-2)6-3/h8-11,19,26H,5-6,12-17H2,1-3H3,(H,23,25) | 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 | |