BDBM50102796 CHEMBL3359077
SMILES: COc1cccc(CNC(=O)c2nc3cccc(OCCc4ccccc4)c3c(=O)[nH]2)c1
InChI Key: InChIKey=LRDPWSZONBEJTO-UHFFFAOYSA-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)) | BDBM50102796 (CHEMBL3359077) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry | J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P | |||||||||||
More data for this Ligand-Target Pair |