BDBM50320423 4-(4-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide::CHEMBL1086379
SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
InChI Key: InChIKey=SAXMIJMROZDLCS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50320423 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)) | BDBM50320423
(4-(4-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C29H37N3O8S/c1-38-25-17-21-9-14-32(19-22(21)18-26(25)39-2)27(33)20-7-12-31(13-8-20)23-3-5-24(6-4-23)41(36,37)29(28(34)30-35)10-15-40-16-11-29/h3-6,17-18,20,35H,7-16,19H2,1-2H3,(H,30,34) | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50320423
(4-(4-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C29H37N3O8S/c1-38-25-17-21-9-14-32(19-22(21)18-26(25)39-2)27(33)20-7-12-31(13-8-20)23-3-5-24(6-4-23)41(36,37)29(28(34)30-35)10-15-40-16-11-29/h3-6,17-18,20,35H,7-16,19H2,1-2H3,(H,30,34) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this Ligand-Target Pair | |