BDBM50407499 CHEMBL121303

SMILES: COc1ccccc1Sc1cccc2nc(N)nc(N)c12

InChI Key: InChIKey=QVUKASGTDFRHBU-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 = 50407499   

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)	BDBM50407499 (CHEMBL121303) Show SMILES COc1ccccc1Sc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14N4OS/c1-20-10-6-2-3-7-11(10)21-12-8-4-5-9-13(12)14(16)19-15(17)18-9/h2-8H,1H3,(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	100	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))	BDBM50407499 (CHEMBL121303) Show SMILES COc1ccccc1Sc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H14N4OS/c1-20-10-6-2-3-7-11(10)21-12-8-4-5-9-13(12)14(16)19-15(17)18-9/h2-8H,1H3,(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	400	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