BDBM50345528 CHEMBL1784368::rac-N-(1-(4-(4-fluorophenyl)piperazin-1-ylsulfonyl)propan-2-yl)-N-hydroxyformamide
SMILES: CC(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O
InChI Key: InChIKey=MESQXIKYNYUZRV-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50345528 (CHEMBL1784368 | rac-N-(1-(4-(4-fluorophenyl)pipera...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP-14 assessed as substrate cleavage after 20 hrs by fluorescence assay | Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50345528 (CHEMBL1784368 | rac-N-(1-(4-(4-fluorophenyl)pipera...) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50345528 (CHEMBL1784368 | rac-N-(1-(4-(4-fluorophenyl)pipera...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP-1 assessed as substrate cleavage after 20 hrs by fluorescence assay | Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50345528 (CHEMBL1784368 | rac-N-(1-(4-(4-fluorophenyl)pipera...) | 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 | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human MMP-13 assessed as substrate cleavage after 20 hrs by fluorescence assay | Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH | |||||||||||
More data for this Ligand-Target Pair |