null
SMILES: CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS a... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS ana... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6a-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A5 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 30 mins in presence of NADP by LC-MS/MS analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hyrozylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS a... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6-beta-hydroxylation reaction incubated for 30 mins in presence of NADP by LC... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50575173![]() (CHEMBL4847050) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as mephenytoin 4-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/M... | Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX | |||||||||||
More data for this Ligand-Target Pair |