BDBM50078465 6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL312348

SMILES: COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1

InChI Key: InChIKey=DCRIZPCIYLJCDA-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 = 50078465   

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)	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95.4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)				J Med Chem 42: 2447-55 (1999) Article DOI: 10.1021/jm990079m BindingDB Entry DOI: 10.7270/Q2833R62
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Toxoplasma gondii)	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)				J Med Chem 42: 2447-55 (1999) Article DOI: 10.1021/jm990079m BindingDB Entry DOI: 10.7270/Q2833R62
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	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	55.6	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 (DHFR) (Pneumocystis carinii)	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95.4	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)	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50078465 (6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	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	55.6	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)				J Med Chem 42: 2447-55 (1999) Article DOI: 10.1021/jm990079m BindingDB Entry DOI: 10.7270/Q2833R62
					More data for this Ligand-Target Pair