BDBM456055 US10723709, Example 5

SMILES: CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)NC(C=O)(C1CCCC1)N1CC(C#C)C2OCC(=O)C12

InChI Key: InChIKey=CSNLQUVWWAGDSS-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 456055   

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 K (Homo sapiens (Human))	BDBM456055 (US10723709, Example 5) Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)NC(C=O)(C1CCCC1)N1CC(C#C)C2OCC(=O)C12 Show InChI InChI=1S/C30H34FN5O4S/c1-3-19-16-36(25-23(38)17-40-26(19)25)30(18-37,22-6-4-5-7-22)33-28(39)21-10-8-20(9-11-21)24-27(31)41-29(32-24)35-14-12-34(2)13-15-35/h1,8-11,18-19,22,25-26H,4-7,12-17H2,2H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The recombinant cathepsin K can be expressed in a variety of commercially available expression systems including E coli, Pichia and Baculovirus syste...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM456055 (US10723709, Example 5) Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)NC(C=O)(C1CCCC1)N1CC(C#C)C2OCC(=O)C12 Show InChI InChI=1S/C30H34FN5O4S/c1-3-19-16-36(25-23(38)17-40-26(19)25)30(18-37,22-6-4-5-7-22)33-28(39)21-10-8-20(9-11-21)24-27(31)41-29(32-24)35-14-12-34(2)13-15-35/h1,8-11,18-19,22,25-26H,4-7,12-17H2,2H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The enzyme is commercially available human cathepsin L. The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assay buffer is 100 mM sodium...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM456055 (US10723709, Example 5) Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)NC(C=O)(C1CCCC1)N1CC(C#C)C2OCC(=O)C12 Show InChI InChI=1S/C30H34FN5O4S/c1-3-19-16-36(25-23(38)17-40-26(19)25)30(18-37,22-6-4-5-7-22)33-28(39)21-10-8-20(9-11-21)24-27(31)41-29(32-24)35-14-12-34(2)13-15-35/h1,8-11,18-19,22,25-26H,4-7,12-17H2,2H3,(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair