BDBM50352847 CHEMBL1824358

SMILES: COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1

InChI Key: InChIKey=PDTDVARFGYKUMS-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50352847   

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))	BDBM50352847 (CHEMBL1824358) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17| Show InChI InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50352847 (CHEMBL1824358) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17| Show InChI InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50352847 (CHEMBL1824358) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17| Show InChI InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50352847 (CHEMBL1824358) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17| Show InChI InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair