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BDBM50374399 CHEMBL209293

SMILES: CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1

InChI Key: InChIKey=XRIMMJTYAWYVEL-FQEVSTJZSA-N

Data: 5 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 5 hits for monomerid = 50374399   
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))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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700n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin S


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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730n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50374399
PNG
(CHEMBL209293)
Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N(C)C)C(=O)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C27H33N5O5/c1-4-9-20(22(33)25-31-30-24(37-25)21-10-8-17-36-21)28-26(35)27(15-6-5-7-16-27)29-23(34)18-11-13-19(14-12-18)32(2)3/h8,10-14,17,20H,4-7,9,15-16H2,1-3H3,(H,28,35)(H,29,34)/t20-/m0/s1
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960n/an/an/an/an/an/an/an/a



Celera Genomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem Lett 16: 2909-14 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.001
BindingDB Entry DOI: 10.7270/Q2QN6808
More data for this
Ligand-Target Pair