BDBM50380667 CHEMBL2017268
SMILES: Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O
InChI Key: InChIKey=FXGZSKNYBROIMW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50380667 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)) | BDBM50380667
(CHEMBL2017268)Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O Show InChI InChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)16-10-11-17-21(12-16)27-13-18(24(26)30)23(17)28-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H2,26,30)(H,27,28) | 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 | 2.00E+3 | 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)) | BDBM50380667
(CHEMBL2017268)Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O Show InChI InChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)16-10-11-17-21(12-16)27-13-18(24(26)30)23(17)28-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H2,26,30)(H,27,28) | 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 | 700 | 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 | |
Search and Browse
