null

SMILES: COc1cc(Cc2cnc(N)nc2N)cc2c(cc(C)nc12)N(C)C

InChI Key: InChIKey=RYQAESQAKKCAGW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50421867   

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))	BDBM50421867 (CHEMBL58366) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2c(cc(C)nc12)N(C)C Show InChI InChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in rat liver				J Med Chem 32: 1936-42 (1989) BindingDB Entry DOI: 10.7270/Q2M046NQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50421867 (CHEMBL58366) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2c(cc(C)nc12)N(C)C Show InChI InChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in Escherichia coli				J Med Chem 32: 1936-42 (1989) BindingDB Entry DOI: 10.7270/Q2M046NQ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50421867 (CHEMBL58366) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2c(cc(C)nc12)N(C)C Show InChI InChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeae				J Med Chem 32: 1936-42 (1989) BindingDB Entry DOI: 10.7270/Q2M046NQ
					More data for this Ligand-Target Pair