BDBM50032718 CHEMBL3354694

SMILES: NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1

InChI Key: InChIKey=QJHYHSYBJXSVDI-QHCPKHFHSA-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 = 50032718   

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))	BDBM50032718 (CHEMBL3354694) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 |r,t:1| Show InChI InChI=1S/C23H21N5O3/c24-22-27-23(13-30-22)18-9-15(16-11-25-14-26-12-16)1-3-20(18)31-21-4-2-17(10-19(21)23)28-5-7-29-8-6-28/h1-4,9-12,14H,5-8,13H2,(H2,24,27)/t23-/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	>1.50E+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 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))	BDBM50032718 (CHEMBL3354694) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 |r,t:1| Show InChI InChI=1S/C23H21N5O3/c24-22-27-23(13-30-22)18-9-15(16-11-25-14-26-12-16)1-3-20(18)31-21-4-2-17(10-19(21)23)28-5-7-29-8-6-28/h1-4,9-12,14H,5-8,13H2,(H2,24,27)/t23-/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	48	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))	BDBM50032718 (CHEMBL3354694) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 |r,t:1| Show InChI InChI=1S/C23H21N5O3/c24-22-27-23(13-30-22)18-9-15(16-11-25-14-26-12-16)1-3-20(18)31-21-4-2-17(10-19(21)23)28-5-7-29-8-6-28/h1-4,9-12,14H,5-8,13H2,(H2,24,27)/t23-/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	17	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