BDBM50033408 CHEMBL3357656

SMILES: [H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F

InChI Key: InChIKey=GZRDWAATBYKNGI-FTRWYGJKSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50033408   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50033408 (CHEMBL3357656) Show SMILES [H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10| Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of purified recombinant human BACE1 expressed in CHO cells assessed as uncleaved biotinylated sAPP after 2 hrs by HTRF assay				J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50033408 (CHEMBL3357656) Show SMILES [H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10| Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells expressing swedish double mutant APP assessed as amyloid beta (1 to 40) peptide level after 7 hrs by HTRF assay				J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50033408 (CHEMBL3357656) Show SMILES [H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10| Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of cathepsin D purified from human spleen after 1 hr by FRET assay				J Med Chem 57: 10112-29 (2014) Article DOI: 10.1021/jm5015132 BindingDB Entry DOI: 10.7270/Q2348N0T
					More data for this Ligand-Target Pair