BDBM50544153 CHEMBL4088476

SMILES: [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NCCCC

InChI Key: InChIKey=JSZORJIKEPXTEA-LFPSWIHMSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50544153   

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))	BDBM50544153 (CHEMBL4088476) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NCCCC |r| Show InChI InChI=1S/C22H32INO4/c1-3-5-7-8-9-10-18-19(27-18)20(21(25)24-15-6-4-2)28-22(26)16-11-13-17(23)14-12-16/h11-14,18-20H,3-10,15H2,1-2H3,(H,24,25)/t18-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Binding affinity to recombinant human cathepsin K				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50544153 (CHEMBL4088476) Show SMILES [H][C@@]1(O[C@@H]1CCCCCCC)C(OC(=O)c1ccc(I)cc1)C(=O)NCCCC |r| Show InChI InChI=1S/C22H32INO4/c1-3-5-7-8-9-10-18-19(27-18)20(21(25)24-15-6-4-2)28-22(26)16-11-13-17(23)14-12-16/h11-14,18-20H,3-10,15H2,1-2H3,(H,24,25)/t18-,19+,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of S£o Carlos Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K using Z-Phe-Arg-MCA as fluorogenic substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair