BDBM50366406 CHEMBL4174365
SMILES: Cl.Cl.NCC#Cc1cnccc1-c1ccoc1
InChI Key: InChIKey=GLHMHOSAHBGQDV-UHFFFAOYSA-N
Data: 9 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 |
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Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by addition of NADPH-regenerating syste... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using omeprazole as substrate preincubated for 5 mins followed by addition of NADPH-regenerating syst... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2E1 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating sy... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating syste... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by addition of NADPH-regenerating syst... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by addition of NADPH-regenerating... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50366406 (CHEMBL4174365) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system... | J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5 | |||||||||||
More data for this Ligand-Target Pair |