BDBM50049909 8-tert-Butyl-7-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170837::TCMDC-137311

SMILES: CC(C)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)(C)C

InChI Key: InChIKey=MNNFNNXYNRMMNE-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50049909   

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 (Homo sapiens (Human))	BDBM50049909 (8-tert-Butyl-7-isopropyl-7H-pyrrolo[3,2-f]quinazol...) Show SMILES CC(C)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)(C)C Show InChI InChI=1S/C17H23N5/c1-9(2)22-12-7-6-11-14(15(18)21-16(19)20-11)10(12)8-13(22)17(3,4)5/h6-9H,1-5H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	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