BDBM50032717 CHEMBL3354693

SMILES: NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1

InChI Key: InChIKey=NZVBDKMMLGEBPO-XMMPIXPASA-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 = 50032717   

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))	BDBM50032717 (CHEMBL3354693) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 |r,t:1,30| Show InChI InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/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	1.07E+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))	BDBM50032717 (CHEMBL3354693) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 |r,t:1,30| Show InChI InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/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	16	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))	BDBM50032717 (CHEMBL3354693) Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 |r,t:1,30| Show InChI InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/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	4	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