BDBM123098 US10723709, Example 2::US8735395, 2::US9200006, 2

SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12

InChI Key: InChIKey=HUMYXJUMFCJTGM-KWACHACRSA-N

Data: 15 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 15 hits for monomerid = 123098   

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))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Medivir AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US8735395 (2014) BindingDB Entry DOI: 10.7270/Q2QJ7G03
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The recombinant cathepsin K can be expressed in a variety of commercially available expression systems including E coli, Pichia and Baculovirus syste...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<50	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The recombinant cathepsin K can be expressed in a variety of commercially available expression systems including E coli, Pichia and Baculovirus syste...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB US Patent					Assay Description The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assa...				US Patent US8735395 (2014) BindingDB Entry DOI: 10.7270/Q2QJ7G03
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The enzyme is commercially available human cathepsin L. The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assay buffer is 100 mM sodium...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The enzyme is commercially available human cathepsin L. The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assay buffer is 100 mM sodium...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MEDIVIR AB US Patent					Assay Description The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...				US Patent US10723709 (2020)
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
MEDIVIR AB US Patent					Assay Description Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were de...				US Patent US9200006 (2015) BindingDB Entry DOI: 10.7270/Q26W98X8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM123098 (US10723709, Example 2 | US8735395, 2 | US9200006, ...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1nc(sc1F)N1CCN(C)CC1)C(=O)N1C[C@@H](C#C)[C@H]2OCC(=O)[C@@H]12 |r| Show InChI InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB US Patent					Assay Description The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate fo...				US Patent US8735395 (2014) BindingDB Entry DOI: 10.7270/Q2QJ7G03
					More data for this Ligand-Target Pair