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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM150604'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM150604
PNG
(US10238633, Example 278 | US8987249, 278 | US97136...)
Show SMILES CN(C)CCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-33(2)9-10-34-25-14-18(4-6-20(25)15-26(34)35)17-3-5-19(24(29)13-17)11-23(16-30)32-28(36)27-21-7-8-22(12-21)31-27/h3-6,13-14,21-23,27,31H,7-12,15H2,1-2H3,(H,32,36)/t21-,22+,23-,27-/m0/s1
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PC sid
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Similars

US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
To activate the proenzyme, 5 μl procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min.5 μL te...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q22R3TZF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM150604
PNG
(US10238633, Example 278 | US8987249, 278 | US97136...)
Show SMILES CN(C)CCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C28H32FN5O2/c1-33(2)9-10-34-25-14-18(4-6-20(25)15-26(34)35)17-3-5-19(24(29)13-17)11-23(16-30)32-28(36)27-21-7-8-22(12-21)31-27/h3-6,13-14,21-23,27,31H,7-12,15H2,1-2H3,(H,32,36)/t21-,22+,23-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20E+3n/an/an/an/a3.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Microtiterplates (Optiplate-384 F were purchased from PerkinElmer (Prod. No. 6007270). The substrate Z-Gly-Pro-Arg-AMC was from Biomol (Pr...


US Patent US9713606 (2017)


BindingDB Entry DOI: 10.7270/Q21G0P8M
More data for this
Ligand-Target Pair