BDBM50031624 CHEMBL3359752

SMILES: NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F

InChI Key: InChIKey=NBQMQFRPAJCJKY-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 = 50031624   

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))	BDBM50031624 (CHEMBL3359752) Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23| Show InChI InChI=1S/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50031624 (CHEMBL3359752) Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23| Show InChI InChI=1S/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	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))	BDBM50031624 (CHEMBL3359752) Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23| Show InChI InChI=1S/C24H19FN4O3/c25-21-17(2-1-7-27-21)15-3-4-20-18(10-15)24(13-31-23(26)29-24)19-11-16(12-28-22(19)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	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