BDBM50398617 CHEMBL2177480

SMILES: CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1

InChI Key: InChIKey=XZOORKHGEHGJDG-RXFWQSSRSA-N

Data: 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 2 hits for monomerid = 50398617   

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))	BDBM50398617 (CHEMBL2177480) Show SMILES CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r| Show InChI InChI=1S/C26H31FN4O4S/c1-19(2)35-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-34-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398617 (CHEMBL2177480) Show SMILES CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r| Show InChI InChI=1S/C26H31FN4O4S/c1-19(2)35-24-9-4-6-21(14-24)17-29-12-10-26(16-20(29)3)18-30(25-28-11-13-34-25)36(32,33)31(26)23-8-5-7-22(27)15-23/h4-9,11,13-15,19-20H,10,12,16-18H2,1-3H3/t20-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair