BDBM50395231 CHEMBL2164681

SMILES: CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N

InChI Key: InChIKey=UURLOHJPNABCHM-DRSNIGMVSA-N

Data: 4 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 4 hits for monomerid = 50395231   

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
Procathepsin L (Homo sapiens (Human))	BDBM50395231 (CHEMBL2164681) Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r| Show InChI InChI=1S/C25H31FN4O2/c1-25(2,3)22(13-27)29-23(31)16-6-4-5-7-17(16)24(32)30-11-10-21-19(14-30)18-12-15(26)8-9-20(18)28-21/h8-9,12,16-17,22,28H,4-7,10-11,14H2,1-3H3,(H,29,31)/t16-,17-,22-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatL assessed as suppression of enzyme-mediated Z-Phe-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 S (Homo sapiens (Human))	BDBM50395231 (CHEMBL2164681) Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r| Show InChI InChI=1S/C25H31FN4O2/c1-25(2,3)22(13-27)29-23(31)16-6-4-5-7-17(16)24(32)30-11-10-21-19(14-30)18-12-15(26)8-9-20(18)28-21/h8-9,12,16-17,22,28H,4-7,10-11,14H2,1-3H3,(H,29,31)/t16-,17-,22-/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	>1.00E+5	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))	BDBM50395231 (CHEMBL2164681) Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r| Show InChI InChI=1S/C25H31FN4O2/c1-25(2,3)22(13-27)29-23(31)16-6-4-5-7-17(16)24(32)30-11-10-21-19(14-30)18-12-15(26)8-9-20(18)28-21/h8-9,12,16-17,22,28H,4-7,10-11,14H2,1-3H3,(H,29,31)/t16-,17-,22-/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	3.12E+4	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
Cathepsin K (Homo sapiens (Human))	BDBM50395231 (CHEMBL2164681) Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)C#N |r| Show InChI InChI=1S/C25H31FN4O2/c1-25(2,3)22(13-27)29-23(31)16-6-4-5-7-17(16)24(32)30-11-10-21-19(14-30)18-12-15(26)8-9-20(18)28-21/h8-9,12,16-17,22,28H,4-7,10-11,14H2,1-3H3,(H,29,31)/t16-,17-,22-/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	785	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