Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50360888' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50360888
(CHEMBL1935111)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18| Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 194-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.037 BindingDB Entry DOI: 10.7270/Q25Q4WJV |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50360888
(CHEMBL1935111)Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18| Show InChI InChI=1S/C19H27N3O2/c1-14-13-18(23)20-21-19(14)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,23)/t14?,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 194-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.037 BindingDB Entry DOI: 10.7270/Q25Q4WJV |
More data for this Ligand-Target Pair | |