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There are 14 purchasable compounds for target: Aggrecanase-2

Wt: 388.4
BDBM50062351
Wt: 357.4
BDBM50202146
Wt: 505.6
BDBM50202151
Wt: 327.4
BDBM50202152
Wt: 491.5
BDBM50202157
Wt: 391.8
BDBM50202158
Wt: 433.5
BDBM50202166
Wt: 424.4
BDBM50265079
Wt: 448.8
BDBM50256059
Wt: 453.3
BDBM50256060
Wt: 463.8
BDBM50256061
Wt: 432.8
BDBM50255999
Wt: 349.8
BDBM50441603
Wt: 231.2
BDBM50445422
Wt: 248.3
BDBM50445423

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50062351,50202146,50202151,50202152,50202157,50202158,50202166,50265079,50256059,50256060,50256061,50255999,50441603,50445422,50445423   
Target
(Institution)
LigandTarget
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202151
PNG
(3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS5 expressed in HEK293 cells using Abz-TESEwSRGAIY-Dpa-KK as substrate measured for 2 hrs by fluorometric analys...


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202158
PNG
(5-(4-(4-chlorobenzyloxy)-3-methoxybenzylidene)-2-t...)
Show SMILES COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3S2/c1-22-15-8-12(9-16-17(21)20-18(24)25-16)4-7-14(15)23-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H,20,21,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202157
PNG
(2-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C26H21NO5S2/c28-24(29)15-27-25(30)23(34-26(27)33)14-20-11-12-21(31-16-18-7-3-1-4-8-18)22(13-20)32-17-19-9-5-2-6-10-19/h1-14H,15-17H2,(H,28,29)/b23-14+
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n/an/a 6.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202152
PNG
(5-(3-(benzyloxy)benzylidene)-2-thioxothiazolidin-4...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H13NO2S2/c19-16-15(22-17(21)18-16)10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19,21)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202166
PNG
(5-(3,4-bis(benzyloxy)benzylidene)-2-thioxothiazoli...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C24H19NO3S2/c26-23-22(30-24(29)25-23)14-19-11-12-20(27-15-17-7-3-1-4-8-17)21(13-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50255999
PNG
(CHEMBL474607 | N-((5-chloro-8-hydroxyquinolin-7-yl...)
Show SMILES Cc1ccc(cc1)C(NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)23(28-22(29)15-31-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)
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n/an/a 760n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50441603
PNG
(CHEMBL1422461)
Show SMILES Clc1ccc(OCC(=O)NNC(=S)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-6-8-14(9-7-13)22-11-15(21)19-20-16(23)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)(H2,18,20,23)
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n/an/a 1.26E+4n/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...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50256059
PNG
(CHEMBL481505 | GNF-PF-3875 | N-((5-chloro-8-hydrox...)
Show SMILES COc1ccc(cc1)C(NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C25H21ClN2O4/c1-31-17-11-9-16(10-12-17)23(28-22(29)15-32-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50256060
PNG
(CHEMBL481506 | N-((5-chloro-8-hydroxyquinolin-7-yl...)
Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O3/c25-16-10-8-15(9-11-16)22(28-21(29)14-31-17-5-2-1-3-6-17)19-13-20(26)18-7-4-12-27-23(18)24(19)30/h1-13,22,30H,14H2,(H,28,29)
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n/an/a 830n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50256061
PNG
(CHEMBL482160 | GNF-Pf-4399 | N-((5-chloro-8-hydrox...)
Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H18ClN3O5/c25-20-13-19(24(30)23-18(20)7-4-12-26-23)22(15-8-10-16(11-9-15)28(31)32)27-21(29)14-33-17-5-2-1-3-6-17/h1-13,22,30H,14H2,(H,27,29)
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n/an/a 460n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50265079
PNG
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1
Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS5 assessed as cleavage of aggrecan substrate


Citation and Details
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202146
PNG
(5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)
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n/an/a>2.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Citation and Details
More data for this
Ligand-Target Pair