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16 similar compounds to monomer 50313524

Compile data set for download or QSAR
Wt: 270.2
BDBM50313506
Wt: 324.2
BDBM50313503
Wt: 324.2
BDBM50313504
Wt: 338.2
BDBM50313516
Wt: 310.2
BDBM50313517
Wt: 350.2
BDBM50313519
Wt: 386.3
BDBM50313522
Wt: 367.3
BDBM50313523
Wt: 393.3
BDBM50313525
Wt: 353.2
BDBM50313526
Wt: 409.3
BDBM50313527
Wt: 381.4
BDBM50313531
Wt: 298.3
BDBM50313507
Wt: 312.3
BDBM50313508
Wt: 332.3
BDBM50313509
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50313506,50313503,50313504,50313516,50313517,50313519,50313522,50313523,50313525,50313526,50313527,50313531,50313507,50313508,50313509   
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))
BDBM50313503
PNG
(3,5-dioxo-4-propyl-2-(3-(trifluoromethyl)phenyl)-2...)
Show SMILES CCCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C14H11F3N4O2/c1-2-6-20-12(22)11(8-18)19-21(13(20)23)10-5-3-4-9(7-10)14(15,16)17/h3-5,7H,2,6H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313531
PNG
(2-(3-isopropylphenyl)-3,5-dioxo-4-(3-(piperidin-1-...)
Show SMILES CC(C)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCCCC2)c1=O
Show InChI InChI=1S/C21H27N5O2/c1-16(2)17-8-6-9-18(14-17)26-21(28)25(20(27)19(15-22)23-26)13-7-12-24-10-4-3-5-11-24/h6,8-9,14,16H,3-5,7,10-13H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313506
PNG
(3,5-dioxo-4-propyl-2-m-tolyl-2,3,4,5-tetrahydro-1,...)
Show SMILES CCCn1c(=O)c(nn(-c2cccc(C)c2)c1=O)C#N
Show InChI InChI=1S/C14H14N4O2/c1-3-7-17-13(19)12(9-15)16-18(14(17)20)11-6-4-5-10(2)8-11/h4-6,8H,3,7H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313507
PNG
(2-(3-isopropylphenyl)-3,5-dioxo-4-propyl-2,3,4,5-t...)
Show SMILES CCCn1c(=O)c(nn(-c2cccc(c2)C(C)C)c1=O)C#N
Show InChI InChI=1S/C16H18N4O2/c1-4-8-19-15(21)14(10-17)18-20(16(19)22)13-7-5-6-12(9-13)11(2)3/h5-7,9,11H,4,8H2,1-3H3
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n/an/a 72n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313508
PNG
(2-(3-tert-butylphenyl)-3,5-dioxo-4-propyl-2,3,4,5-...)
Show SMILES CCCn1c(=O)c(nn(-c2cccc(c2)C(C)(C)C)c1=O)C#N
Show InChI InChI=1S/C17H20N4O2/c1-5-9-20-15(22)14(11-18)19-21(16(20)23)13-8-6-7-12(10-13)17(2,3)4/h6-8,10H,5,9H2,1-4H3
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n/an/a 288n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313509
PNG
(2-(biphenyl-3-yl)-3,5-dioxo-4-propyl-2,3,4,5-tetra...)
Show SMILES CCCn1c(=O)c(nn(-c2cccc(c2)-c2ccccc2)c1=O)C#N
Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)17(13-20)21-23(19(22)25)16-10-6-9-15(12-16)14-7-4-3-5-8-14/h3-10,12H,2,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313516
PNG
(4-butyl-3,5-dioxo-2-(3-(trifluoromethyl)phenyl)-2,...)
Show SMILES CCCCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C15H13F3N4O2/c1-2-3-7-21-13(23)12(9-19)20-22(14(21)24)11-6-4-5-10(8-11)15(16,17)18/h4-6,8H,2-3,7H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313517
PNG
(4-ethyl-3,5-dioxo-2-(3-(trifluoromethyl)phenyl)-2,...)
Show SMILES CCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C13H9F3N4O2/c1-2-19-11(21)10(7-17)18-20(12(19)22)9-5-3-4-8(6-9)13(14,15)16/h3-6H,2H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313519
PNG
(4-cyclopentyl-3,5-dioxo-2-(3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(C2CCCC2)c1=O
Show InChI InChI=1S/C16H13F3N4O2/c17-16(18,19)10-4-3-7-12(8-10)23-15(25)22(11-5-1-2-6-11)14(24)13(9-20)21-23/h3-4,7-8,11H,1-2,5-6H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313522
PNG
(3,5-dioxo-4-phenethyl-2-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C19H13F3N4O2/c20-19(21,22)14-7-4-8-15(11-14)26-18(28)25(17(27)16(12-23)24-26)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2
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n/an/a 4.46E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313523
PNG
(4-(3-(dimethylamino)propyl)-3,5-dioxo-2-(3-(triflu...)
Show SMILES CN(C)CCCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C16H16F3N5O2/c1-22(2)7-4-8-23-14(25)13(10-20)21-24(15(23)26)12-6-3-5-11(9-12)16(17,18)19/h3,5-6,9H,4,7-8H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313525
PNG
(3,5-dioxo-4-(2-(piperidin-1-yl)ethyl)-2-(3-(triflu...)
Show SMILES FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCN2CCCCC2)c1=O
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)13-5-4-6-14(11-13)26-17(28)25(16(27)15(12-22)23-26)10-9-24-7-2-1-3-8-24/h4-6,11H,1-3,7-10H2
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n/an/a 182n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313526
PNG
(4-(2-(dimethylamino)ethyl)-3,5-dioxo-2-(3-(trifluo...)
Show SMILES CN(C)CCn1c(=O)c(nn(-c2cccc(c2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C15H14F3N5O2/c1-21(2)6-7-22-13(24)12(9-19)20-23(14(22)25)11-5-3-4-10(8-11)15(16,17)18/h3-5,8H,6-7H2,1-2H3
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n/an/a 810n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313527
PNG
(4-(3-morpholinopropyl)-3,5-dioxo-2-(3-(trifluorome...)
Show SMILES FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCOCC2)c1=O
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)13-3-1-4-14(11-13)26-17(28)25(16(27)15(12-22)23-26)6-2-5-24-7-9-29-10-8-24/h1,3-4,11H,2,5-10H2
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n/an/a 112n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50313504
PNG
(3,5-dioxo-4-propyl-2-(4-(trifluoromethyl)phenyl)-2...)
Show SMILES CCCn1c(=O)c(nn(-c2ccc(cc2)C(F)(F)F)c1=O)C#N
Show InChI InChI=1S/C14H11F3N4O2/c1-2-7-20-12(22)11(8-18)19-21(13(20)23)10-5-3-9(4-6-10)14(15,16)17/h3-6H,2,7H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1488-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.116
BindingDB Entry DOI: 10.7270/Q2RN380F
More data for this
Ligand-Target Pair