BDBM50031867 6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine::6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine::CHEMBL52688

SMILES: COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1

InChI Key: InChIKey=DQLHWXMDFBDATJ-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50031867   

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)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Concentration inhibiting T. gondii dihydrofolate reductase				J Med Chem 38: 2615-20 (1995) BindingDB Entry DOI: 10.7270/Q2736PXG
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Concentration inhibiting P. carinii dihydrofolate reductase				J Med Chem 38: 2615-20 (1995) BindingDB Entry DOI: 10.7270/Q2736PXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Concentration inhibiting rat liver dihydrofolate reductase .				J Med Chem 38: 2615-20 (1995) BindingDB Entry DOI: 10.7270/Q2736PXG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Saccharomyces cerevisiae)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	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.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 rat liver dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50031867 (6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...) Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair