BDBM50197240 CHEMBL248088::KYS-05080::N-Benzyl-2-{3-biphenyl-4-yl-2-[methyl-(5-pyrrolidin-1-yl-pentyl)-amino]-3,4-dihydro-quinazolin-4-yl}-acetamide::N-benzyl-2-(3-(biphenyl-4-yl)-2-(methyl(5-(pyrrolidin-1-yl)pentyl)amino)-3,4-dihydroquinazolin-4-yl)acetamide
SMILES: CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=SXLKSZQOUGOJGV-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Equus caballus (Horse)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Mixed/noncompetitive inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addi... | Bioorg Med Chem Lett 27: 1179-1185 (2017) BindingDB Entry DOI: 10.7270/Q2P271CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated T-type calcium channel (Homo sapiens (Human)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method | Bioorg Med Chem Lett 17: 471-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.024 BindingDB Entry DOI: 10.7270/Q24F1QBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi... | Bioorg Med Chem Lett 27: 1179-1185 (2017) BindingDB Entry DOI: 10.7270/Q2P271CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m... | Bioorg Med Chem Lett 27: 1179-1185 (2017) BindingDB Entry DOI: 10.7270/Q2P271CH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated T-type calcium channel (Homo sapiens (Human)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Inhibition of human T-type calcium channel alpha1G in HEK293 cells | Bioorg Med Chem Lett 20: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2009.11.049 BindingDB Entry DOI: 10.7270/Q2MS3V0M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated T-type calcium channel (Homo sapiens (Human)) | BDBM50197240 (CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University Curated by ChEMBL | Assay Description Inhibition of T-type calcium channel Cav3.1 alpha1G expressed in HEK293 cells by whole cell patch-clamp method | Bioorg Med Chem Lett 18: 3899-901 (2008) Article DOI: 10.1016/j.bmcl.2008.06.034 BindingDB Entry DOI: 10.7270/Q2WW7HGS | |||||||||||
More data for this Ligand-Target Pair |