BDBM50405500 CHEMBL60883

SMILES: CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C

InChI Key: InChIKey=GWBRWFAQHGJNAN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50405500   

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 (Rattus norvegicus (rat))	BDBM50405500 (CHEMBL60883) Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C Show InChI InChI=1S/C16H22N4/c1-4-12-6-5-11(8-14(12)10(2)3)7-13-9-19-16(18)20-15(13)17/h5-6,8-10H,4,7H2,1-3H3,(H4,17,18,19,20)	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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver				J Med Chem 30: 1998-2004 (1987) BindingDB Entry DOI: 10.7270/Q2K64K7N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405500 (CHEMBL60883) Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C Show InChI InChI=1S/C16H22N4/c1-4-12-6-5-11(8-14(12)10(2)3)7-13-9-19-16(18)20-15(13)17/h5-6,8-10H,4,7H2,1-3H3,(H4,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli				J Med Chem 30: 1998-2004 (1987) BindingDB Entry DOI: 10.7270/Q2K64K7N
					More data for this Ligand-Target Pair