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SMILES: COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12

InChI Key: InChIKey=QKSPBAJKZHIVAW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50406006   

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 (Escherichia coli)	BDBM50406006 (CHEMBL418492) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity against Dihydrofolate reductase in Escherichia coli				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50406006 (CHEMBL418492) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	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 chicken				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50406006 (CHEMBL418492) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+5	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: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair