BDBM50196309 CHEMBL3929338

SMILES: COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1

InChI Key: InChIKey=PQYUOPMFWZOSEI-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 = 50196309   

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))	BDBM50196309 (CHEMBL3929338) Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1 Show InChI InChI=1S/C24H22N2O2S/c1-17-8-13-22-21(14-17)23(27)26(15-18-6-4-3-5-7-18)24(25-22)29-16-19-9-11-20(28-2)12-10-19/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH				Bioorg Med Chem Lett 26: 4815-4823 (2016) Article DOI: 10.1016/j.bmcl.2016.08.022 BindingDB Entry DOI: 10.7270/Q2GX4DHG
					More data for this Ligand-Target Pair