BDBM50050386 6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL23288

SMILES: COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC

InChI Key: InChIKey=NBXFVGDELMEKSA-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50050386   

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)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Dihydrofolate reductase from Pneumocystis carinii (pc)				J Med Chem 40: 470-8 (1997) Article DOI: 10.1021/jm9606913 BindingDB Entry DOI: 10.7270/Q26W9968
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (tg)				J Med Chem 40: 470-8 (1997) Article DOI: 10.1021/jm9606913 BindingDB Entry DOI: 10.7270/Q26W9968
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB 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
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	810	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat liver dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration against Dihydrofolate reductase from Rat liver (rl)				J Med Chem 40: 470-8 (1997) Article DOI: 10.1021/jm9606913 BindingDB Entry DOI: 10.7270/Q26W9968
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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 (Homo sapiens (Human))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against human dihydrofolate reductase (hDHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Escherichia coli)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	1.50E+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
Dihydrofolate Reductase (DHFR) (Escherichia coli)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	300	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 (Rattus norvegicus (rat))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	1.90E+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 (DHFR) (Pneumocystis carinii)	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	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	1.90E+3	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 (Homo sapiens (Human))	BDBM50050386 (6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...) Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)				J Med Chem 45: 41-53 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VXR
					More data for this Ligand-Target Pair