BDBM50407511 CHEMBL124304

SMILES: CC(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1

InChI Key: InChIKey=YTDGVNHOHLEJNG-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 = 50407511   

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 (Homo sapiens (Human))	BDBM50407511 (CHEMBL124304) Show SMILES CC(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C17H18N4S/c1-10(2)11-6-8-12(9-7-11)22-14-5-3-4-13-15(14)16(18)21-17(19)20-13/h3-10H,1-2H3,(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	2.40E+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
Dihydrofolate Reductase (DHFR) (Candida albicans)	BDBM50407511 (CHEMBL124304) Show SMILES CC(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C17H18N4S/c1-10(2)11-6-8-12(9-7-11)22-14-5-3-4-13-15(14)16(18)21-17(19)20-13/h3-10H,1-2H3,(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
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