BDBM20087 dipeptide-derived nitrile, 7::tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate

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

InChI Key: InChIKey=OMQSGXGRANQGLE-JTQLQIEISA-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 7 hits for monomerid = 20087   

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))	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	120	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))	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	130	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))	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 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
Cruzipain (Trypanosoma cruzi)	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-7.77	n/a	n/a	n/a	n/a	n/a	6.5	25
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
Procathepsin L (Homo sapiens (Human))	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM20087 (dipeptide-derived nitrile, 7 | tert-butyl N-[(1S)-...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r| Show InChI InChI=1S/C13H23N3O3/c1-9(2)8-10(11(17)15-7-6-14)16-12(18)19-13(3,4)5/h9-10H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair