BDBM50031619 CHEMBL3359757

SMILES: Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F

InChI Key: InChIKey=XDXKCXYAVKKRNF-SANMLTNESA-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 = 50031619   

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))	BDBM50031619 (CHEMBL3359757) Show SMILES Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24| Show InChI InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/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	1.24E+3	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))	BDBM50031619 (CHEMBL3359757) Show SMILES Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24| Show InChI InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/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	0.900	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))	BDBM50031619 (CHEMBL3359757) Show SMILES Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24| Show InChI InChI=1S/C26H19FN4O2/c1-15-4-6-16(7-5-15)18-12-21-24(30-13-18)33-22-9-8-17(19-3-2-10-29-23(19)27)11-20(22)26(21)14-32-25(28)31-26/h2-13H,14H2,1H3,(H2,28,31)/t26-/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	14	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