BDBM50317043 CHEMBL1097337::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(1,3,5-trimethyl-1H-pyrazol-4-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

SMILES: CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)nn(C)c1C

InChI Key: InChIKey=AGLLENADHFXJJA-YPKYBTACSA-N

Data: 1 KI

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 1 hit for monomerid = 50317043   

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))	BDBM50317043 (CHEMBL1097337 | N1-((1S,2S)-3-(3,5-difluorophenyl)...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C34H46F2N6O5S/c1-7-10-41(11-8-2)34(45)26-14-21(3)13-25(18-26)33(44)38-29(17-24-15-27(35)19-28(36)16-24)31(43)30-20-42(12-9-37-30)48(46,47)32-22(4)39-40(6)23(32)5/h13-16,18-19,29-31,37,43H,7-12,17,20H2,1-6H3,(H,38,44)/t29-,30+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition oh BACE1				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair