BDBM50057316 5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::CHEMBL17453

SMILES: COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12

InChI Key: InChIKey=JSLWFRFGAYXGRR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50057316   

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))	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	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	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in rat liver				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Toxoplasma gondii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	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	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50057316 (5-(((2,5-dimethoxyphenyl)(methyl)amino)methyl)-7H-...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1c[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C16H20N6O2/c1-22(11-6-10(23-2)4-5-12(11)24-3)8-9-7-19-15-13(9)14(17)20-16(18)21-15/h4-7H,8H2,1-3H3,(H5,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition against Dihydrofolate reductase in Pneumocystis carinii				J Med Chem 40: 1173-7 (1997) Article DOI: 10.1021/jm960717q BindingDB Entry DOI: 10.7270/Q2QR4W74
					More data for this Ligand-Target Pair