BDBM50051923 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE::CHEMBL36245::N*6*-(3,5-Dimethoxy-benzyl)-N*6*-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine

SMILES: COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1

InChI Key: InChIKey=XWCCXDBXMCTZPW-UHFFFAOYSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50051923   

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) (Toxoplasma gondii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)				J Med Chem 41: 3426-34 (1998)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996)
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Toxoplasma gondii dihydrofolate reductase (in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (human))	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR)				J Med Chem 41: 3426-34 (1998)
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 48: 1448-69 (2005)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (human))	BDBM50051923 (2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLA...) Show SMILES COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid)				J Med Chem 39: 1438-46 (1996)
					More data for this Ligand-Target Pair