BDBM204935 I-13

SMILES: NC1=CC(CCCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key: InChIKey=QMYTZBWROMULLK-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 = 204935   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM204935 (I-13) Show SMILES NC1=CC(CCCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:1| Show InChI InChI=1S/C20H17F3N4O2/c21-15-4-3-13(27-18(28)16-5-2-12(10-24)11-26-16)8-14(15)20(19(22)23)6-1-7-29-17(25)9-20/h2-5,8-9,11,19H,1,6-7,25H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	153	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well...				US Patent US9540359 (2017) BindingDB Entry DOI: 10.7270/Q21V5H0N
					More data for this Ligand-Target Pair