BDBM50491239 CHEMBL2380455

SMILES: COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=JFLAZALMCCYJTK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50491239   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50491239 (CHEMBL2380455) Show SMILES COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13| Show InChI InChI=1S/C21H19N3OS/c1-25-19-9-7-17(8-10-19)21(24-20(22)14-26-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells				J Med Chem 56: 4181-205 (2013) Article DOI: 10.1021/jm3011349 BindingDB Entry DOI: 10.7270/Q2MS3WP0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50491239 (CHEMBL2380455) Show SMILES COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13| Show InChI InChI=1S/C21H19N3OS/c1-25-19-9-7-17(8-10-19)21(24-20(22)14-26-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrs				J Med Chem 56: 4181-205 (2013) Article DOI: 10.1021/jm3011349 BindingDB Entry DOI: 10.7270/Q2MS3WP0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50491239 (CHEMBL2380455) Show SMILES COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13| Show InChI InChI=1S/C21H19N3OS/c1-25-19-9-7-17(8-10-19)21(24-20(22)14-26-21)18-6-2-4-15(12-18)16-5-3-11-23-13-16/h2-13H,14H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRE...				J Med Chem 56: 4181-205 (2013) Article DOI: 10.1021/jm3011349 BindingDB Entry DOI: 10.7270/Q2MS3WP0
					More data for this Ligand-Target Pair