BDBM50049607 6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine::CHEMBL54792

SMILES: COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1

InChI Key: InChIKey=VUOWLRUPFRBDGR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50049607   

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 (Saccharomyces cerevisiae)	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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) (Toxoplasma gondii)	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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)	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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 (DHFR) (Pneumocystis carinii)	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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 (Rattus norvegicus (rat))	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	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	35	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))	BDBM50049607 (6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...) Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)	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	35	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