null

SMILES: CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1

InChI Key: InChIKey=DCDJNQRXMBHXRY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50067861   

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 (Pneumocystis carinii)	BDBM50067861 (CHEMBL140940 | N*6*-Methyl-N*6*-phenyl-pyrido[3,2-...) Show SMILES CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Pneumocystis carinii				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50067861 (CHEMBL140940 | N*6*-Methyl-N*6*-phenyl-pyrido[3,2-...) Show SMILES CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	942	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate				Bioorg Med Chem Lett 29: 1874-1880 (2019) Article DOI: 10.1016/j.bmcl.2019.06.004
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50067861 (CHEMBL140940 | N*6*-Methyl-N*6*-phenyl-pyrido[3,2-...) Show SMILES CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50067861 (CHEMBL140940 | N*6*-Methyl-N*6*-phenyl-pyrido[3,2-...) Show SMILES CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii				J Med Chem 41: 4533-41 (1998) Article DOI: 10.1021/jm980206z BindingDB Entry DOI: 10.7270/Q2FX78KJ
					More data for this Ligand-Target Pair