BDBM81907 1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl)3-yl)methyl)-3-p-tolythiourea, 7
SMILES: COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1
InChI Key: InChIKey=AXRMMQKZPNXSNV-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...) | BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase B2 isoform A (Homo sapiens (Human)) | BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A1 (Bos taurus (bovine)) | BDBM81907 (1-(2-hydroxyethyl)-1-((6-methoxy-2-oxo-1,2-dihydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair |