BDBM50398620 CHEMBL2177477

SMILES: CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1

InChI Key: InChIKey=WMNYPMGMKRSEED-RBISFHTESA-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 = 50398620   

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))	BDBM50398620 (CHEMBL2177477) Show SMILES CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r| Show InChI InChI=1S/C28H33FN4O3S/c1-21(2)36-27-11-4-7-23(15-27)19-31-14-12-28(17-22(31)3)20-32(26-10-6-13-30-18-26)37(34,35)33(28)25-9-5-8-24(29)16-25/h4-11,13,15-16,18,21-22H,12,14,17,19-20H2,1-3H3/t22-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398620 (CHEMBL2177477) Show SMILES CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r| Show InChI InChI=1S/C28H33FN4O3S/c1-21(2)36-27-11-4-7-23(15-27)19-31-14-12-28(17-22(31)3)20-32(26-10-6-13-30-18-26)37(34,35)33(28)25-9-5-8-24(29)16-25/h4-11,13,15-16,18,21-22H,12,14,17,19-20H2,1-3H3/t22-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+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