BDBM50194279 4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahydropyrimidin-5-yloxy)phenoxy)phenyl)oxazol-4-yl)benzonitrile::4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxohexahydropyrimidin-5-yloxy)phenoxy)phenyl)oxazol-4-yl)benzonitrile::CHEMBL222077
SMILES: COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
InChI Key: InChIKey=YDTQINPZBUBYRX-UHFFFAOYSA-N
Data: 3 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)) | BDBM50194279 (4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) | 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 | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Inhibition of MMP13 | Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50194279 (4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens Curated by ChEMBL | Assay Description Inhibition of MMP13 | Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 13 (Rattus norvegicus) | BDBM50194279 (4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Inhibition of MMP13 in rat plasma | Bioorg Med Chem Lett 16: 5822-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.066 BindingDB Entry DOI: 10.7270/Q27P8Z1R | |||||||||||
More data for this Ligand-Target Pair |