BDBM50477031 CHEMBL240276

SMILES: CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C

InChI Key: InChIKey=CRTQUEFRKWZDSB-PKDNWHCCSA-N

Data: 6 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 6 hits for monomerid = 50477031   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477031 (CHEMBL240276) Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCC(C)C Show InChI InChI=1S/C23H32F2N4O2S/c1-6-7-19(28-20(30)10-16-8-17(24)11-18(25)9-16)22(31)29-23-27-15(5)21(32-23)14(4)26-12-13(2)3/h8-9,11,13-14,19,26H,6-7,10,12H2,1-5H3,(H,28,30)(H,27,29,31)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay				Bioorg Med Chem Lett 17: 5518-22 (2007) Article DOI: 10.1016/j.bmcl.2007.08.035 BindingDB Entry DOI: 10.7270/Q2XG9TX8
					More data for this Ligand-Target Pair