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PubMed code 11975520

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))		BDBM50260286
PNG
(CHEMBL508746 | cycloaltilisin 6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-c1c(-[#6]-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(c(-[#8])c1-[#8])-c1cc(-[#8])c(-[#8])c(-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#6]-[#6]-[#6](=O)-c1ccc(-[#8])cc1-[#8] |w:38.39,8.8|
Show InChI InChI=1S/C50H58O10/c1-29(2)9-7-11-31(5)13-18-36-33(15-23-43(53)39-20-16-34(51)26-45(39)55)25-42(50(60)49(36)59)41-28-47(57)48(58)38(19-14-32(6)12-8-10-30(3)4)37(41)22-24-44(54)40-21-17-35(52)27-46(40)56/h9-10,13-14,16-17,20-21,25-28,51-52,55-60H,7-8,11-12,15,18-19,22-24H2,1-6H3
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n/an/a 98n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K (unknown origin) by fluorimetric assay

J Nat Prod 65: 624-7 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8KRV
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50260285
PNG
(1-(2,4-dihydroxyphenyl)-3-(2-(3,7-dimethylocta-2,6...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-c1c(-[#6]-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc(-[#8])c1-[#8] |w:8.8|
Show InChI InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K (unknown origin) by fluorimetric assay

J Nat Prod 65: 624-7 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8KRV
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50260287
PNG
(CHEMBL494579 | cycloaltilisin 7)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(-[#8])c3-[#6](=O)-[#6]-[#6](-[#8]-c3c2-[#6]=[#6]1)-c1ccc(-[#8])cc1 |c:23|
Show InChI InChI=1S/C25H26O5/c1-15(2)5-4-11-25(3)12-10-18-22(30-25)14-20(28)23-19(27)13-21(29-24(18)23)16-6-8-17(26)9-7-16/h5-10,12,14,21,26,28H,4,11,13H2,1-3H3
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Similars
PubMed
n/an/a 840n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K (unknown origin) by fluorimetric assay

J Nat Prod 65: 624-7 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8KRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%