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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 272.3
BDBM50431939
Wt: 271.4
BDBM50441580
Wt: 259.3
BDBM50445411
Wt: 259.3
BDBM50445412
Wt: 259.3
BDBM50445413
Wt: 245.3
BDBM50445414
Wt: 245.3
BDBM50445415
Wt: 245.3
BDBM50445416
Wt: 245.3
BDBM50445417
Wt: 231.2
BDBM50445422
Wt: 248.3
BDBM50445423
Purchase
Wt: 232.2
BDBM50445424
Wt: 181.2
BDBM50445425
Wt: 197.2
BDBM50445426
Wt: 214.2
BDBM50445427
Displayed 1 to 15 (of 488 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445411
PNG
(CHEMBL3104657)
Show SMILES CCC1S\C(NC1=O)=C\c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H13N3OS/c1-2-10-13(17)16-12(18-10)7-11-14-8-5-3-4-6-9(8)15-11/h3-7,10H,2H2,1H3,(H,14,15)(H,16,17)/b12-7+
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n/an/a 420n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445422
PNG
(CHEMBL3104673)
Show SMILES O=C1CS\C(N1)=C\c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H9N3OS/c15-10-6-16-11(14-10)5-9-12-7-3-1-2-4-8(7)13-9/h1-5H,6H2,(H,12,13)(H,14,15)/b11-5+
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n/an/a 470n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445417
PNG
(CHEMBL3104650)
Show SMILES CC1S\C(NC1=O)=C\c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H11N3OS/c1-7-12(16)15-11(17-7)6-10-13-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,13,14)(H,15,16)/b11-6+
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n/an/a 480n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445423
PNG
(CHEMBL3104672)
Show SMILES O=C1CS\C(N1)=C\c1nc2ccccc2s1
Show InChI InChI=1S/C11H8N2OS2/c14-9-6-15-10(13-9)5-11-12-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,13,14)/b10-5+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445427
PNG
(CHEMBL3104668)
Show SMILES Oc1csc(\C=C2/NC(=O)CS2)n1
Show InChI InChI=1S/C7H6N2O2S2/c10-4-2-12-6(8-4)1-7-9-5(11)3-13-7/h1-2,10H,3H2,(H,9,11)/b7-1+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445412
PNG
(CHEMBL3104656)
Show SMILES Cc1ccc2nc(C=C3NC(=O)CS3)[nH]c2c1C
Show InChI InChI=1S/C13H13N3OS/c1-7-3-4-9-13(8(7)2)15-10(14-9)5-12-16-11(17)6-18-12/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445416
PNG
(CHEMBL3104652)
Show SMILES Cn1c(\C=C2/NC(=O)CS2)nc2ccccc12
Show InChI InChI=1S/C12H11N3OS/c1-15-9-5-3-2-4-8(9)13-10(15)6-12-14-11(16)7-17-12/h2-6H,7H2,1H3,(H,14,16)/b12-6+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445414
PNG
(CHEMBL3104654)
Show SMILES Cc1ccc2nc(C=C3NC(=O)CS3)[nH]c2c1
Show InChI InChI=1S/C12H11N3OS/c1-7-2-3-8-9(4-7)14-10(13-8)5-12-15-11(16)6-17-12/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445415
PNG
(CHEMBL3104653)
Show SMILES Cc1cccc2[nH]c(C=C3NC(=O)CS3)nc12
Show InChI InChI=1S/C12H11N3OS/c1-7-3-2-4-8-12(7)14-9(13-8)5-11-15-10(16)6-17-11/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50431939
PNG
(CHEMBL2348069)
Show SMILES OC(=O)Cc1sc(\C=C2/NC(=O)CS2)nc1O
Show InChI InChI=1S/C9H8N2O4S2/c12-5-3-16-6(10-5)2-7-11-9(15)4(17-7)1-8(13)14/h2,15H,1,3H2,(H,10,12)(H,13,14)/b6-2+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.121
BindingDB Entry DOI: 10.7270/Q26974ZF
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445425
PNG
(CHEMBL3104670)
Show SMILES O=C1CSC(N1)=Cc1cnc[nH]1
Show InChI InChI=1S/C7H7N3OS/c11-6-3-12-7(10-6)1-5-2-8-4-9-5/h1-2,4H,3H2,(H,8,9)(H,10,11)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445424
PNG
(CHEMBL3104671)
Show SMILES O=C1CS\C(N1)=C\c1nc2ccccc2o1
Show InChI InChI=1S/C11H8N2O2S/c14-9-6-16-11(13-9)5-10-12-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,13,14)/b11-5+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445426
PNG
(CHEMBL3104669)
Show SMILES O=C1CS\C(N1)=C\c1cccs1
Show InChI InChI=1S/C8H7NOS2/c10-7-5-12-8(9-7)4-6-2-1-3-11-6/h1-4H,5H2,(H,9,10)/b8-4+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50445413
PNG
(CHEMBL3104655)
Show SMILES Cc1cc2nc(\C=C3/NC(=O)CS3)[nH]c2cc1C
Show InChI InChI=1S/C13H13N3OS/c1-7-3-9-10(4-8(7)2)15-11(14-9)5-13-16-12(17)6-18-13/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)/b13-5+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.075
BindingDB Entry DOI: 10.7270/Q2F76F15
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50441580
PNG
(CHEMBL2437154)
Show SMILES CC(=O)NNC(=S)NCCCCC1CCCCC1
Show InChI InChI=1S/C13H25N3OS/c1-11(17)15-16-13(18)14-10-6-5-9-12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H,15,17)(H2,14,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using ARGSVILTV-KPIFEVSPSPL(biotinyl)K as substrate incubated 10 mins prior to substrate addition measured a...


Eur J Med Chem 69: 244-61 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.027
BindingDB Entry DOI: 10.7270/Q2J967TM
More data for this
Ligand-Target Pair