BDBM50380665 CHEMBL2017089
SMILES: Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
InChI Key: InChIKey=QWDANQMCVSOTGM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50380665 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 3A4
(Homo sapiens (Human)) | BDBM50380665
(CHEMBL2017089)Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O Show InChI InChI=1S/C21H18N4O2/c1-12-19(13(2)27-25-12)14-8-9-16-18(10-14)23-11-17(21(22)26)20(16)24-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,26)(H,23,24) | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50380665
(CHEMBL2017089)Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O Show InChI InChI=1S/C21H18N4O2/c1-12-19(13(2)27-25-12)14-8-9-16-18(10-14)23-11-17(21(22)26)20(16)24-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,26)(H,23,24) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |