BDBM50317035 CHEMBL1097329::N1-((1S,2S)-1-((R)-4-(3,4-dichlorophenylsulfonyl)piperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-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)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YPQIEGDXNBKVGF-QAXCHELISA-N

Data: 1 KI  1 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 = 50317035   

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))	BDBM50317035 (CHEMBL1097329 | N1-((1S,2S)-1-((R)-4-(3,4-dichloro...) 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)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H40Cl2F2N4O5S/c1-4-9-41(10-5-2)34(45)24-13-21(3)12-23(17-24)33(44)40-30(16-22-14-25(37)18-26(38)15-22)32(43)31-20-42(11-8-39-31)48(46,47)27-6-7-28(35)29(36)19-27/h6-7,12-15,17-19,30-32,39,43H,4-5,8-11,16,20H2,1-3H3,(H,40,44)/t30-,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50317035 (CHEMBL1097329 | N1-((1S,2S)-1-((R)-4-(3,4-dichloro...) 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)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H40Cl2F2N4O5S/c1-4-9-41(10-5-2)34(45)24-13-21(3)12-23(17-24)33(44)40-30(16-22-14-25(37)18-26(38)15-22)32(43)31-20-42(11-8-39-31)48(46,47)27-6-7-28(35)29(36)19-27/h6-7,12-15,17-19,30-32,39,43H,4-5,8-11,16,20H2,1-3H3,(H,40,44)/t30-,31+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 production				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