BDBM50421791 CHEMBL23447

SMILES: CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC

InChI Key: InChIKey=ZRFPOKUZWBSQLB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50421791   

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 (Neisseria gonorrhoeae)	BDBM50421791 (CHEMBL23447) Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50421791 (CHEMBL23447) Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50421791 (CHEMBL23447) Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description Inhibition of Neisseria gonorrhoeae Dihydrofolate reductase(DHFR)				J Med Chem 31: 122-9 (1988) BindingDB Entry DOI: 10.7270/Q24M95T9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50421791 (CHEMBL23447) Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)	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	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Plasmodium berghei (strain Anka))	BDBM50421791 (CHEMBL23447) Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				J Med Chem 30: 348-56 (1987) BindingDB Entry DOI: 10.7270/Q28C9XH6
					More data for this Ligand-Target Pair