BDBM50259954 CHEMBL4094377

SMILES: CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F

InChI Key: InChIKey=JMOHXAUCSPMQGB-HNNXBMFYSA-N

Data: 5 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 5 hits for monomerid = 50259954   

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
Cathepsin D (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Cathepsin D (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50259954 (CHEMBL4094377) Show SMILES CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20| Show InChI InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin) by cell free assay				J Med Chem 60: 386-402 (2017) Article DOI: 10.1021/acs.jmedchem.6b01451 BindingDB Entry DOI: 10.7270/Q2154KHX
					More data for this Ligand-Target Pair