BDBM35082 US8546380, 1197::US8633188, 1197

SMILES: COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1

InChI Key: InChIKey=QJDYGDJENJQNNN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 35082   

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))	BDBM35082 (US8546380, 1197 | US8633188, 1197) Show SMILES COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H22BrN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	912	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35082 (US8546380, 1197 | US8633188, 1197) Show SMILES COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H22BrN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	912	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair