BDBM50433811 CHEMBL2382332
SMILES: CC(C)c1ccc(cc1)N(C)c1cnc2nc(N)nc(N)c2c1
InChI Key: InChIKey=CRSDIJKYSOUKQH-UHFFFAOYSA-N
Data: 1 KI 1 IC50
PDB links: 2 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50433811 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 |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50433811
 (CHEMBL2382332)Show InChI InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Genova
Curated by ChEMBL
| Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis |
Eur J Med Chem 135: 467-478 (2017)
BindingDB Entry DOI: 10.7270/Q2057JD0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50433811
 (CHEMBL2382332)Show InChI InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHFR |
J Med Chem 56: 4422-41 (2013)
Article DOI: 10.1021/jm400086g BindingDB Entry DOI: 10.7270/Q2F47QH3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |