BDBM50395253 CHEMBL2164684

SMILES: Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N

InChI Key: InChIKey=MIOKYZZTPMKVEG-IAGOWNOFSA-N

Data: 3 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 3 hits for monomerid = 50395253   

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))	BDBM50395253 (CHEMBL2164684) Show SMILES Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25FN4O2/c24-14-5-6-15-18-12-28(10-7-19(18)26-20(15)11-14)22(30)17-4-2-1-3-16(17)21(29)27-23(13-25)8-9-23/h5-6,11,16-17,26H,1-4,7-10,12H2,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50395253 (CHEMBL2164684) Show SMILES Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25FN4O2/c24-14-5-6-15-18-12-28(10-7-19(18)26-20(15)11-14)22(30)17-4-2-1-3-16(17)21(29)27-23(13-25)8-9-23/h5-6,11,16-17,26H,1-4,7-10,12H2,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatS assessed as suppression of enzyme-mediated Z-Val-Val-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50395253 (CHEMBL2164684) Show SMILES Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25FN4O2/c24-14-5-6-15-18-12-28(10-7-19(18)26-20(15)11-14)22(30)17-4-2-1-3-16(17)21(29)27-23(13-25)8-9-23/h5-6,11,16-17,26H,1-4,7-10,12H2,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair