BDBM50444546 CHEMBL2414256
SMILES: CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
InChI Key: InChIKey=IHDMNALHWVSDJE-UHFFFAOYSA-N
Data: 8 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 1A (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | 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 | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2E1 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50444546 (CHEMBL2414256) | 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 | 8.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation after 20 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 1198-202 (2013) Article DOI: 10.1021/ml400311r BindingDB Entry DOI: 10.7270/Q2SQ91TK | |||||||||||
More data for this Ligand-Target Pair |