BDBM50189028 4-(4-(1-(4-chloro-N-(2,5-difluorophenyl)phenylsulfonamido)ethyl)-3-(3-(pyrrolidin-1-yl)propoxy)benzoyl)benzyl 8-(5-((3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)octylcarbamate::CHEMBL385785

SMILES: CC(N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1OCCCN1CCCC1)C(=O)c1ccc(COC(=O)NCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1

InChI Key: InChIKey=DDKLUWXFTWDNMN-GADFUNKGSA-N

Data: 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 1 hit for monomerid = 50189028   

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
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2 (Homo sapiens (Human))	BDBM50189028 (4-(4-(1-(4-chloro-N-(2,5-difluorophenyl)phenylsulf...) Show SMILES CC(N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1OCCCN1CCCC1)C(=O)c1ccc(COC(=O)NCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 Show InChI InChI=1S/C54H67ClF2N6O8S2/c1-37(63(47-34-42(56)22-26-45(47)57)73(68,69)43-23-20-41(55)21-24-43)44-25-19-40(33-48(44)70-32-12-31-62-29-10-11-30-62)52(65)39-17-15-38(16-18-39)35-71-54(67)59-28-9-5-3-2-4-8-27-58-50(64)14-7-6-13-49-51-46(36-72-49)60-53(66)61-51/h15-26,33-34,37,46,49,51H,2-14,27-32,35-36H2,1H3,(H,58,64)(H,59,67)(H2,60,61,66)/t37?,46-,49-,51-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibition of beta amyloid protein 40 production				Bioorg Med Chem Lett 16: 4184-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.091 BindingDB Entry DOI: 10.7270/Q2RF5TN8
					More data for this Ligand-Target Pair