BDBM50407733 CHEMBL176987
SMILES: CCCCCCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C
InChI Key: InChIKey=QVCAKYMDCCPESN-UHFFFAOYSA-N
Data: 2 KI
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 (DHFR) (Pneumocystis carinii) | BDBM50407733 (CHEMBL176987) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50407733 (CHEMBL176987) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc. Curated by ChEMBL | Assay Description Inhibition of human dihydrofolate reductase (DHFR) enzyme | J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN | |||||||||||
More data for this Ligand-Target Pair |