BDBM50491243 CHEMBL2380444

SMILES: CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1

InChI Key: InChIKey=DAWFJSNCVYTRMO-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50491243   

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)	BDBM50491243 (CHEMBL2380444) Show SMILES CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.15E+3	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))	BDBM50491243 (CHEMBL2380444) Show SMILES CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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 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				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50491243 (CHEMBL2380444) Show SMILES CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C17H17ClN2O/c1-17(20-16(19)8-9-21-17)14-6-2-4-12(10-14)13-5-3-7-15(18)11-13/h2-7,10-11H,8-9H2,1H3,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.30E+3	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				3D Structure (crystal)