BDBM50421865 CHEMBL56719

SMILES: COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12

InChI Key: InChIKey=LLBXUDUWEWTJRQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50421865   

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))	BDBM50421865 (CHEMBL56719) Show SMILES COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12 Show InChI InChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)	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	4.90E+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)	BDBM50421865 (CHEMBL56719) Show SMILES COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12 Show InChI InChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	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))	BDBM50421865 (CHEMBL56719) Show SMILES COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12 Show InChI InChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	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