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BDBM109862 US8609681, 9

SMILES: CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=JRWQDVOHQWLANK-HNNXBMFYSA-N

Data: 3 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 3 hits for monomerid = 109862   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM109862
PNG
(US8609681, 9)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C20H30F2N4O2/c1-18(21,22)13-15(16(27)25-20(14-23)7-8-20)24-17(28)26-11-9-19(10-12-26)5-3-2-4-6-19/h15H,2-13H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
1.80n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aven...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM109862
PNG
(US8609681, 9)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C20H30F2N4O2/c1-18(21,22)13-15(16(27)25-20(14-23)7-8-20)24-17(28)26-11-9-19(10-12-26)5-3-2-4-6-19/h15H,2-13H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
3.20n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM109862
PNG
(US8609681, 9)
Show SMILES CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C20H30F2N4O2/c1-18(21,22)13-15(16(27)25-20(14-23)7-8-20)24-17(28)26-11-9-19(10-12-26)5-3-2-4-6-19/h15H,2-13H2,1H3,(H,24,28)(H,25,27)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
46n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Determination of the enzymatic activity of the catalytic domain of human Cathepsin B. This protein is obtained as an inactive enzyme from Sigma, Wies...


US Patent US8609681 (2013)


BindingDB Entry DOI: 10.7270/Q2F47MSF
More data for this
Ligand-Target Pair