BDBM171396 US9085576, 123::US9085576, 30::US9611261, Example 123

SMILES: Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F

InChI Key: InChIKey=OJWJKXCEPPILPQ-SZEPBZDZSA-N

Data: 8 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 8 hits for monomerid = 171396   

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))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43.2	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.69E+5	n/a	n/a	n/a	n/a	3.5	n/a
Amgen Inc US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43.2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171396 (US9085576, 123 | US9085576, 30 | US9611261, Exampl...) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F Show InChI InChI=1S/C19H16ClF3N4O2/c1-8-4-10(26-16(28)13-3-2-9(20)7-25-13)5-12(15(8)21)19(17(22)23)11-6-14(11)29-18(24)27-19/h2-5,7,11,14,17H,6H2,1H3,(H2,24,27)(H,26,28)/t11-,14+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.57E+5	n/a	n/a	n/a	n/a	3.5	n/a
Amgen Inc US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair