BDBM20111 dipeptide-derived nitrile, 32::tert-butyl N-[(1S)-2-(1-benzothiophen-3-yl)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N

InChI Key: InChIKey=NUTWPMXNWZRDOX-AWEZNQCLSA-N

Data: 5 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 5 hits for monomerid = 20111   

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))	BDBM20111 (dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r| Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM20111 (dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r| Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
					More data for this Ligand-Target Pair
Cathepsin L (Bos taurus (bovine))	BDBM20111 (dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r| Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM20111 (dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r| Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM20111 (dipeptide-derived nitrile, 32 | tert-butyl N-[(1S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r| Show InChI InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ...				J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG
					More data for this Ligand-Target Pair