BDBM50448058 CHEMBL3115734

SMILES: COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1

InChI Key: InChIKey=MSQOQARQZJBFHE-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 = 50448058   

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))	BDBM50448058 (CHEMBL3115734) Show SMILES COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1 |w:6.5,c:22,t:13| Show InChI InChI=1S/C28H26N2O2/c1-31-22-14-10-19(11-15-22)18-21-6-5-7-24-27(20-12-16-23(32-2)17-13-20)29-25-8-3-4-9-26(25)30-28(21)24/h3-4,8-18,24H,5-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Future University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR measured for every 1 min of 10 mins				Eur J Med Chem 74: 234-45 (2014) Article DOI: 10.1016/j.ejmech.2014.01.004 BindingDB Entry DOI: 10.7270/Q2J67JD9
					More data for this Ligand-Target Pair