BDBM123101 US8735395, 5

SMILES: CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12

InChI Key: InChIKey=DEMUCOOCKQGXOE-SXEIHZRZSA-N

Data: 2 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 2 hits for monomerid = 123101   

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))	BDBM123101 (US8735395, 5) Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C30H34FN5O4S/c1-3-18-16-36(25-22(37)17-40-26(18)25)29(39)24(19-6-4-5-7-19)32-28(38)21-10-8-20(9-11-21)23-27(31)41-30(33-23)35-14-12-34(2)13-15-35/h1,8-11,18-19,24-26H,4-7,12-17H2,2H3,(H,32,38)/t18-,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Medivir AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US8735395 (2014) BindingDB Entry DOI: 10.7270/Q2QJ7G03
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123101 (US8735395, 5) Show SMILES CN1CCN(CC1)c1nc(c(F)s1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C30H34FN5O4S/c1-3-18-16-36(25-22(37)17-40-26(18)25)29(39)24(19-6-4-5-7-19)32-28(38)21-10-8-20(9-11-21)23-27(31)41-30(33-23)35-14-12-34(2)13-15-35/h1,8-11,18-19,24-26H,4-7,12-17H2,2H3,(H,32,38)/t18-,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US8735395 (2014) BindingDB Entry DOI: 10.7270/Q2QJ7G03
					More data for this Ligand-Target Pair