BDBM50033557 6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5,6,7,8-tetrahydro-quinazoline-2,4-diamine::CHEMBL121868

SMILES: COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1

InChI Key: InChIKey=VAOOOSSVEKNDAZ-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 = 50033557   

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) (Toxoplasma gondii)	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified Dihydrofolate reductase from Toxoplasma gondii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified dihydrofolate reductase from rat				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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))	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	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	260	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)	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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) (Pneumocystis carinii)	BDBM50033557 (6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...) Show SMILES COc1ccc(OC)c(c1)N(C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C18H25N5O2/c1-23(15-9-12(24-2)5-7-16(15)25-3)10-11-4-6-14-13(8-11)17(19)22-18(20)21-14/h5,7,9,11H,4,6,8,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 activity against purified dihydrofolate reductase from Pneumocystis carinii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair