BindingDB PrimarySearch

BDBM50035483 5-Chloro-N*6*-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine::5-chloro-N6-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine::5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine::CHEMBL138060

SMILES: COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1

InChI Key: InChIKey=ZQYDKYDSKVGDJP-UHFFFAOYSA-N

Data: 1 KI 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035483
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50035483 (5-Chloro-N6-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay				Antimicrob Agents Chemother 54: 2603-10 (2010) Article DOI: 10.1128/AAC.01526-09 BindingDB Entry DOI: 10.7270/Q2VX0GQW
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand))	BDBM50035483 (5-Chloro-N6-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DHFR				Bioorg Med Chem 25: 6467-6478 (2017) Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50035483 (5-Chloro-N6-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50035483 (5-Chloro-N6-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) of in rat liver				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50035483 (5-Chloro-N6-(2,5-dimethoxy-benzyl)-quinazoline-2...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase of Pneumocystis carinii				J Med Chem 37: 4522-8 (1995) BindingDB Entry DOI: 10.7270/Q2DF6RVD
Institute Curated by ChEMBL					More data for this Ligand-Target Pair