BDBM50034937 6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL53693

SMILES: COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C

InChI Key: InChIKey=VXZIMTKDBAYSKD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50034937   

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 (Lactobacillus casei)	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.4	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 (Rattus norvegicus (rat))	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	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	17.5	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) (Toxoplasma gondii)	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	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))	BDBM50034937 (6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-met...) Show SMILES COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C Show InChI InChI=1S/C21H28N6O3/c1-11(2)27(14-7-15(28-4)18(30-6)16(8-14)29-5)10-13-9-24-20-17(12(13)3)19(22)25-21(23)26-20/h7-9,11H,10H2,1-6H3,(H4,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from rat liver				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair