BDBM50271163 CHEMBL4129654

SMILES: [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F

InChI Key: InChIKey=GYVDXWKQHSKJCJ-DNVCBOLYSA-N

Data: 4 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 4 hits for monomerid = 50271163   

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 2 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2ZW1P72
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271163 (CHEMBL4129654) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r| Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2ZW1P72
					More data for this Ligand-Target Pair