BDBM50451194 CHEMBL2115084
SMILES: [H][C@@]1(CCCC2(C1)OCCO2)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
InChI Key: InChIKey=KVNBSMBKXVJFRN-RXVVDRJESA-N
Data: 1 IC50
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)) | BDBM50451194 (CHEMBL2115084) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13 | Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV | |||||||||||
More data for this Ligand-Target Pair |