BDBM50407515 CHEMBL120924

SMILES: COc1cc(Sc2cccc3nc(N)nc(N)c23)cc(OC)c1OC

InChI Key: InChIKey=SKAUOJONUSQFNW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50407515   

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 (DHFR) (Candida albicans)	BDBM50407515 (CHEMBL120924) Show SMILES COc1cc(Sc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C17H18N4O3S/c1-22-11-7-9(8-12(23-2)15(11)24-3)25-13-6-4-5-10-14(13)16(18)21-17(19)20-10/h4-8H,1-3H3,(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	40	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in Candida albicans (in vitro).				J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50407515 (CHEMBL120924) Show SMILES COc1cc(Sc2cccc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C17H18N4O3S/c1-22-11-7-9(8-12(23-2)15(11)24-3)25-13-6-4-5-10-14(13)16(18)21-17(19)20-10/h4-8H,1-3H3,(H4,18,19,20,21)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description In vitro inhibition of human dihydrofolate reductase				J Med Chem 38: 3608-16 (1995) BindingDB Entry DOI: 10.7270/Q2V69KS6
					More data for this Ligand-Target Pair