BDBM50093302 3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-benzamidine::CHEMBL130313
SMILES: CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
InChI Key: InChIKey=BRWFSWSBQBVMOE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50093302 (3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of coagulation factor Xa. | J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50093302 (3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibitory activity against trypsin | J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50093302 (3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of thrombin | J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50093302 (3-{4-[4-(2,6-Dimethyl-piperidin-1-yl)-butyl]-3-oxo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Compound was tested for in vitro inhibitory activity against plasmin | J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H | |||||||||||
More data for this Ligand-Target Pair |