BDBM258913 US9499502, 9l

SMILES: CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F

InChI Key: InChIKey=VDJQZEYADVRHBV-IBGZPJMESA-N

Data: 2 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 2 hits for monomerid = 258913   

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))	BDBM258913 (US9499502, 9l) Show SMILES CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r| Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-11.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM258913 (US9499502, 9l) Show SMILES CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r| Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	<-11.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair