BDBM50451954 CHEMBL2111753
SMILES: ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChI Key: InChIKey=JJSAEDOMTCNEQL-GOSISDBHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50451954 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)) | BDBM50451954
(CHEMBL2111753)Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C18H19ClN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/m1/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 | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against matrix metalloprotease-13 (MMP-13) |
Bioorg Med Chem Lett 14: 3389-95 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50451954
(CHEMBL2111753)Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C18H19ClN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against human matrix metalloprotease-1 (MMP-1) |
Bioorg Med Chem Lett 14: 3389-95 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN |
More data for this Ligand-Target Pair | |