BDBM138506 US8877775, 17::US9073869, 17

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1

InChI Key: InChIKey=MGSFLXHCILBYOG-AEDUHMMZSA-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 = 138506   

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
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM138506 (US8877775, 17 | US9073869, 17) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.20,wD:16.17,(8.77,-5,;7.23,-5,;7.23,-6.54,;5.69,-5,;7.23,-3.46,;5.9,-2.7,;4.56,-3.47,;3.23,-2.7,;3.23,-1.16,;4.56,-.39,;5.9,-1.16,;1.9,-.39,;.56,-1.16,;-.77,-.39,;-.77,1.15,;-2.1,1.92,;-2.1,3.46,;-3.44,4.23,;-4.77,3.46,;-4.77,1.92,;-6.1,4.23,;-7.44,3.46,;-8.77,4.23,;-8.77,5.77,;-7.44,6.54,;-6.1,5.77,;-6.87,4.44,;-8,5.57,;-.77,4.23,;.56,5,;.56,1.92,;1.9,1.15,)| Show InChI InChI=1S/C24H28N4O3S/c1-32(30,31)28-21-12-6-18(7-13-21)17-4-2-16(3-5-17)14-22(15-25)27-24(29)23-19-8-10-20(26-23)11-9-19/h2-7,12-13,19-20,22-23,26,28H,8-11,14H2,1H3,(H,27,29)/t19?,20?,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	6.0	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2P04,...				US Patent US8877775 (2014) BindingDB Entry DOI: 10.7270/Q20R9N3T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM138506 (US8877775, 17 | US9073869, 17) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.20,wD:16.17,(8.77,-5,;7.23,-5,;7.23,-6.54,;5.69,-5,;7.23,-3.46,;5.9,-2.7,;4.56,-3.47,;3.23,-2.7,;3.23,-1.16,;4.56,-.39,;5.9,-1.16,;1.9,-.39,;.56,-1.16,;-.77,-.39,;-.77,1.15,;-2.1,1.92,;-2.1,3.46,;-3.44,4.23,;-4.77,3.46,;-4.77,1.92,;-6.1,4.23,;-7.44,3.46,;-8.77,4.23,;-8.77,5.77,;-7.44,6.54,;-6.1,5.77,;-6.87,4.44,;-8,5.57,;-.77,4.23,;.56,5,;.56,1.92,;1.9,1.15,)| Show InChI InChI=1S/C24H28N4O3S/c1-32(30,31)28-21-12-6-18(7-13-21)17-4-2-16(3-5-17)14-22(15-25)27-24(29)23-19-8-10-20(26-23)11-9-19/h2-7,12-13,19-20,22-23,26,28H,8-11,14H2,1H3,(H,27,29)/t19?,20?,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description To activate the proenzyme, 5 ul procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min.5 uL test compoun...				US Patent US9073869 (2015) BindingDB Entry DOI: 10.7270/Q2J9654T
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM138506 (US8877775, 17 | US9073869, 17) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.20,wD:16.17,(8.77,-5,;7.23,-5,;7.23,-6.54,;5.69,-5,;7.23,-3.46,;5.9,-2.7,;4.56,-3.47,;3.23,-2.7,;3.23,-1.16,;4.56,-.39,;5.9,-1.16,;1.9,-.39,;.56,-1.16,;-.77,-.39,;-.77,1.15,;-2.1,1.92,;-2.1,3.46,;-3.44,4.23,;-4.77,3.46,;-4.77,1.92,;-6.1,4.23,;-7.44,3.46,;-8.77,4.23,;-8.77,5.77,;-7.44,6.54,;-6.1,5.77,;-6.87,4.44,;-8,5.57,;-.77,4.23,;.56,5,;.56,1.92,;1.9,1.15,)| Show InChI InChI=1S/C24H28N4O3S/c1-32(30,31)28-21-12-6-18(7-13-21)17-4-2-16(3-5-17)14-22(15-25)27-24(29)23-19-8-10-20(26-23)11-9-19/h2-7,12-13,19-20,22-23,26,28H,8-11,14H2,1H3,(H,27,29)/t19?,20?,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...				US Patent US9073869 (2015) BindingDB Entry DOI: 10.7270/Q2J9654T
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM138506 (US8877775, 17 | US9073869, 17) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:20.20,wD:16.17,(8.77,-5,;7.23,-5,;7.23,-6.54,;5.69,-5,;7.23,-3.46,;5.9,-2.7,;4.56,-3.47,;3.23,-2.7,;3.23,-1.16,;4.56,-.39,;5.9,-1.16,;1.9,-.39,;.56,-1.16,;-.77,-.39,;-.77,1.15,;-2.1,1.92,;-2.1,3.46,;-3.44,4.23,;-4.77,3.46,;-4.77,1.92,;-6.1,4.23,;-7.44,3.46,;-8.77,4.23,;-8.77,5.77,;-7.44,6.54,;-6.1,5.77,;-6.87,4.44,;-8,5.57,;-.77,4.23,;.56,5,;.56,1.92,;1.9,1.15,)| Show InChI InChI=1S/C24H28N4O3S/c1-32(30,31)28-21-12-6-18(7-13-21)17-4-2-16(3-5-17)14-22(15-25)27-24(29)23-19-8-10-20(26-23)11-9-19/h2-7,12-13,19-20,22-23,26,28H,8-11,14H2,1H3,(H,27,29)/t19?,20?,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	3.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Activation buffer: 32.5 mM sodium acetate, adjusted to pH 3.5 with HCl; Assay buffer: 150 mM sodium acetate, 4mM EDT...				US Patent US8877775 (2014) BindingDB Entry DOI: 10.7270/Q20R9N3T
					More data for this Ligand-Target Pair