BDBM50438441 CHEMBL2414362

SMILES: CC(=O)N(C(C)=O)c1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=ZGZXYLMBZYLZOY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50438441   

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) (Bos taurus (Cattle))	BDBM50438441 (CHEMBL2414362) Show SMILES CC(=O)N(C(C)=O)c1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5O2S2/c1-8(22)20(9(2)23)15-17-12(7-25-15)13-18-19-14(24)21(13)11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured every 1 min for 10 mins				Eur J Med Chem 66: 135-45 (2013) Article DOI: 10.1016/j.ejmech.2013.05.039 BindingDB Entry DOI: 10.7270/Q21C1Z9Q
					More data for this Ligand-Target Pair