BDBM50135142 6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL424135

SMILES: COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1

InChI Key: InChIKey=YSSYHMDWUMVMEA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50135142   

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 (Rattus norvegicus (rat))	BDBM50135142 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...) Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from rat liver.				J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9
					More data for this Ligand-Target Pair
Dihydrofolate reductase; P. carinii vs rat (Rattus norvegicus (rat))	BDBM50135142 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...) Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/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	500	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR assessed as reduction in consumption of NADPH using 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 (DHFR) (Escherichia coli)	BDBM50135142 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...) Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from toxoplasma gondii.				J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Escherichia coli)	BDBM50135142 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...) Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1 Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase from pneumocystis carinii.				J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9
					More data for this Ligand-Target Pair