BDBM100295 US8501744, 22

SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@@H]12

InChI Key: InChIKey=ISXAASLMUXJHCD-OVNWYXPRSA-N

Data: 1 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 1 hit for monomerid = 100295   

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))	BDBM100295 (US8501744, 22) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1csc(n1)N1CCN(C)CC1)C(=O)N1C[C@H](C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C28H37N5O4S/c1-17(2)13-21(27(36)33-14-18(3)25-24(33)23(34)15-37-25)29-26(35)20-7-5-19(6-8-20)22-16-38-28(30-22)32-11-9-31(4)10-12-32/h5-8,16-18,21,24-25H,9-15H2,1-4H3,(H,29,35)/t18-,21-,24+,25+/m0/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	n/a	n/a
Amura Therapeutics, Limited US Patent					Assay Description In vitro cathepsin inhibition assay.				US Patent US8501744 (2013) BindingDB Entry DOI: 10.7270/Q2D7992S
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