BDBM50253580 2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quinazoline::CHEMBL522678

SMILES: CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1

InChI Key: InChIKey=SXZPDRHCLNZYOT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50253580   

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)	BDBM50253580 (2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quin...) Show SMILES CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	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 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM50253580 (2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quin...) Show SMILES CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium avium dihydrofolate reductase				J Med Chem 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50253580 (2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quin...) Show SMILES CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50253580 (2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quin...) Show SMILES CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)	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	14.5	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 51: 6195-200 (2008) Article DOI: 10.1021/jm800694g BindingDB Entry DOI: 10.7270/Q2BP03PT
					More data for this Ligand-Target Pair