BDBM50345530 CHEMBL1784355::N-(1-((4-(4-fluorophenyl)piperazin-1-ylsulfonyl)methyl)cyclobutyl)-N-hydroxyformamide
SMILES: ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCC1
InChI Key: InChIKey=OGLLJVIOQHNPQC-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50345530 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50345530
(CHEMBL1784355 | N-(1-((4-(4-fluorophenyl)piperazin...)Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCC1 Show InChI InChI=1S/C16H22FN3O4S/c17-14-2-4-15(5-3-14)18-8-10-19(11-9-18)25(23,24)12-16(6-1-7-16)20(22)13-21/h2-5,13,22H,1,6-12H2 | 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 | 1.90E+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 | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM50345530
(CHEMBL1784355 | N-(1-((4-(4-fluorophenyl)piperazin...)Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCC1 Show InChI InChI=1S/C16H22FN3O4S/c17-14-2-4-15(5-3-14)18-8-10-19(11-9-18)25(23,24)12-16(6-1-7-16)20(22)13-21/h2-5,13,22H,1,6-12H2 | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 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 | |