BDBM50049902 7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170144::TCMDC-137851

SMILES: CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC

InChI Key: InChIKey=HBRNPAQKCVTVRI-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50049902   

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) (Candida albicans)	BDBM50049902 (7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...) Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase enzyme from Candida albicans				J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50049902 (7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...) Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Dihydrofolate reductase enzyme				J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC
					More data for this Ligand-Target Pair