BDBM50438443 CHEMBL2414364

SMILES: COc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(n1)N(C(C)=O)C(C)=O

InChI Key: InChIKey=ZQUCRTOPWQUGSQ-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 = 50438443   

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))	BDBM50438443 (CHEMBL2414364) Show SMILES COc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(n1)N(C(C)=O)C(C)=O Show InChI InChI=1S/C16H15N5O3S2/c1-9(22)20(10(2)23)16-17-13(8-26-16)14-18-19-15(25)21(14)11-4-6-12(24-3)7-5-11/h4-8H,1-3H3,(H,19,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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