BDBM50320433 4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide::CHEMBL1085563
SMILES: ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F
InChI Key: InChIKey=FQMDDNHJAAIYKQ-UHFFFAOYSA-N
Data: 2 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)) | BDBM50320433 (4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)p...) | 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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development Curated by ChEMBL | Assay Description Inhibition of MMP13 | Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50320433 (4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)p...) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development Curated by ChEMBL | Assay Description Inhibition of MMP2 | Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4 | |||||||||||
More data for this Ligand-Target Pair |