BDBM50421810 CHEMBL24155

SMILES: COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C

InChI Key: InChIKey=KZRMSZTYHNNUOO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50421810   

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)	BDBM50421810 (CHEMBL24155) Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C Show InChI InChI=1S/C17H24N4O/c1-10-6-11(7-12-9-20-16(19)21-15(12)18)8-13(14(10)22-5)17(2,3)4/h6,8-9H,7H2,1-5H3,(H4,18,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	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 (Plasmodium berghei (strain Anka))	BDBM50421810 (CHEMBL24155) Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C Show InChI InChI=1S/C17H24N4O/c1-10-6-11(7-12-9-20-16(19)21-15(12)18)8-13(14(10)22-5)17(2,3)4/h6,8-9H,7H2,1-5H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	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
Dihydrofolate reductase (Escherichia coli)	BDBM50421810 (CHEMBL24155) Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C Show InChI InChI=1S/C17H24N4O/c1-10-6-11(7-12-9-20-16(19)21-15(12)18)8-13(14(10)22-5)17(2,3)4/h6,8-9H,7H2,1-5H3,(H4,18,19,20,21)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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 (Rattus norvegicus (rat))	BDBM50421810 (CHEMBL24155) Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C Show InChI InChI=1S/C17H24N4O/c1-10-6-11(7-12-9-20-16(19)21-15(12)18)8-13(14(10)22-5)17(2,3)4/h6,8-9H,7H2,1-5H3,(H4,18,19,20,21)	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	1.30E+5	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