BDBM269485 (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-chloropicolinamide::US10058540, 1

SMILES: NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1

InChI Key: InChIKey=MLHBJYSBEAENRB-QGZVFWFLSA-N

Data: 1 KI

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 = 269485   

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))	BDBM269485 ( (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H15ClF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-11.2	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair