BDBM50032727 CHEMBL3354703

SMILES: CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1

InChI Key: InChIKey=NESVKGZXFAMOSA-VWLOTQADSA-N

Data: 1 KI  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 3 hits for monomerid = 50032727   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50032727 (CHEMBL3354703) Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22| Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	624	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay				J Med Chem 57: 9796-810 (2014) Article DOI: 10.1021/jm501266w BindingDB Entry DOI: 10.7270/Q28S4RHC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50032727 (CHEMBL3354703) Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22| Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1	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	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA				J Med Chem 57: 9796-810 (2014) Article DOI: 10.1021/jm501266w BindingDB Entry DOI: 10.7270/Q28S4RHC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50032727 (CHEMBL3354703) Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22| Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-5-7-22-20(13-18)25(15-30-23(26)28-25)19-12-17(4-6-21(19)31-22)16-8-10-27-11-9-16/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1	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	323	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity				J Med Chem 57: 9796-810 (2014) Article DOI: 10.1021/jm501266w BindingDB Entry DOI: 10.7270/Q28S4RHC
					More data for this Ligand-Target Pair