BDBM138507 US8877775, 18::US9073869, 18

SMILES: NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1

InChI Key: InChIKey=DKVWNKVQQQEYMS-UIIOKCELSA-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 = 138507   

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 I (Homo sapiens (Human))	BDBM138507 (US8877775, 18 | US9073869, 18) Show SMILES NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:18.18,wD:14.15,(4.67,-6.16,;6,-5.39,;7.34,-6.16,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-7.34,5.39,;-6,6.16,;-4.67,5.39,;-5.44,4.06,;-6.57,5.18,;.67,3.85,;2,4.62,;2,1.54,;3.33,.77,)| Show InChI InChI=1S/C24H26N4O2/c25-14-21(28-24(30)22-17-8-10-20(27-22)11-9-17)12-15-4-6-16(7-5-15)18-2-1-3-19(13-18)23(26)29/h1-7,13,17,20-22,27H,8-12H2,(H2,26,29)(H,28,30)/t17?,20?,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	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))	BDBM138507 (US8877775, 18 | US9073869, 18) Show SMILES NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:18.18,wD:14.15,(4.67,-6.16,;6,-5.39,;7.34,-6.16,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-7.34,5.39,;-6,6.16,;-4.67,5.39,;-5.44,4.06,;-6.57,5.18,;.67,3.85,;2,4.62,;2,1.54,;3.33,.77,)| Show InChI InChI=1S/C24H26N4O2/c25-14-21(28-24(30)22-17-8-10-20(27-22)11-9-17)12-15-4-6-16(7-5-15)18-2-1-3-19(13-18)23(26)29/h1-7,13,17,20-22,27H,8-12H2,(H2,26,29)(H,28,30)/t17?,20?,21-,22-/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	9.70E+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 I (Homo sapiens (Human))	BDBM138507 (US8877775, 18 | US9073869, 18) Show SMILES NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:18.18,wD:14.15,(4.67,-6.16,;6,-5.39,;7.34,-6.16,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-7.34,5.39,;-6,6.16,;-4.67,5.39,;-5.44,4.06,;-6.57,5.18,;.67,3.85,;2,4.62,;2,1.54,;3.33,.77,)| Show InChI InChI=1S/C24H26N4O2/c25-14-21(28-24(30)22-17-8-10-20(27-22)11-9-17)12-15-4-6-16(7-5-15)18-2-1-3-19(13-18)23(26)29/h1-7,13,17,20-22,27H,8-12H2,(H2,26,29)(H,28,30)/t17?,20?,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	131	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))	BDBM138507 (US8877775, 18 | US9073869, 18) Show SMILES NC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)[C@H]2NC3CCC2CC3)C#N)cc1 |r,wU:18.18,wD:14.15,(4.67,-6.16,;6,-5.39,;7.34,-6.16,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;6,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-7.34,5.39,;-6,6.16,;-4.67,5.39,;-5.44,4.06,;-6.57,5.18,;.67,3.85,;2,4.62,;2,1.54,;3.33,.77,)| Show InChI InChI=1S/C24H26N4O2/c25-14-21(28-24(30)22-17-8-10-20(27-22)11-9-17)12-15-4-6-16(7-5-15)18-2-1-3-19(13-18)23(26)29/h1-7,13,17,20-22,27H,8-12H2,(H2,26,29)(H,28,30)/t17?,20?,21-,22-/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	9.70E+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