BDBM50031628 CHEMBL3359748

SMILES: CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1

InChI Key: InChIKey=MALUDQJRFWLZQG-DEOSSOPVSA-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 = 50031628   

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))	BDBM50031628 (CHEMBL3359748) Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22| Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/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	>1.00E+4	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 channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis				J Med Chem 57: 9811-31 (2014) Article DOI: 10.1021/jm5012676 BindingDB Entry DOI: 10.7270/Q20G3MRW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50031628 (CHEMBL3359748) Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22| Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) incubated for 60 mins prior to substrate addition measured after 60 mins by fluorescence assay				J Med Chem 57: 9811-31 (2014) Article DOI: 10.1021/jm5012676 BindingDB Entry DOI: 10.7270/Q20G3MRW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50031628 (CHEMBL3359748) Show SMILES CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22| Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)13-29-17-10-19-21(27-12-17)31-20-7-6-15(16-5-4-8-26-11-16)9-18(20)24(19)14-30-22(25)28-24/h4-12H,13-14H2,1-3H3,(H2,25,28)/t24-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells assessed as Abeta40 level after overnight incubation by sandwich ELISA				J Med Chem 57: 9811-31 (2014) Article DOI: 10.1021/jm5012676 BindingDB Entry DOI: 10.7270/Q20G3MRW
					More data for this Ligand-Target Pair