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PubMed code 26288689

Compile data set for download or QSAR
Found 37 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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122453
PNG
(CHEMBL3622491)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C36H45N9O/c1-4-45(32-11-7-8-27(2)24-32)33(46)30-14-12-28(13-15-30)25-38-35-39-34(37-17-19-43-22-20-42(3)21-23-43)40-36(41-35)44-18-16-29-9-5-6-10-31(29)26-44/h5-15,24H,4,16-23,25-26H2,1-3H3,(H2,37,38,39,40,41)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122451
PNG
(CHEMBL3622492)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C33H40N8O/c1-5-41(29-12-8-9-24(2)21-29)30(42)27-15-13-25(14-16-27)22-35-32-36-31(34-18-20-39(3)4)37-33(38-32)40-19-17-26-10-6-7-11-28(26)23-40/h6-16,21H,5,17-20,22-23H2,1-4H3,(H2,34,35,36,37,38)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122484
PNG
(CHEMBL3622484)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C35H44N8O3/c1-7-43(29-10-8-9-24(2)19-29)32(44)26-13-11-25(12-14-26)22-37-34-38-33(36-16-18-41(3)4)39-35(40-34)42-17-15-27-20-30(45-5)31(46-6)21-28(27)23-42/h8-14,19-21H,7,15-18,22-23H2,1-6H3,(H2,36,37,38,39,40)
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122485
PNG
(CHEMBL3622482)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(O)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C31H34N6O4/c1-5-37(25-8-6-7-20(2)15-25)28(38)22-11-9-21(10-12-22)18-32-29-33-30(35-31(39)34-29)36-14-13-23-16-26(40-3)27(41-4)17-24(23)19-36/h6-12,15-17H,5,13-14,18-19H2,1-4H3,(H2,32,33,34,35,39)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122452
PNG
(CHEMBL3622490)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C31H34N6O3/c1-5-37(26-8-6-7-21(2)15-26)29(38)23-11-9-22(10-12-23)18-32-30-33-20-34-31(35-30)36-14-13-24-16-27(39-3)28(40-4)17-25(24)19-36/h6-12,15-17,20H,5,13-14,18-19H2,1-4H3,(H,32,33,34,35)
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122486
PNG
(CHEMBL3622481)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NC)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C32H37N7O3/c1-6-39(26-9-7-8-21(2)16-26)29(40)23-12-10-22(11-13-23)19-34-31-35-30(33-3)36-32(37-31)38-15-14-24-17-27(41-4)28(42-5)18-25(24)20-38/h7-13,16-18H,6,14-15,19-20H2,1-5H3,(H2,33,34,35,36,37)
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122546
PNG
(CHEMBL3622507)
Show SMILES CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C27H36N8O/c1-5-34(4)24(36)22-12-10-20(11-13-22)18-29-26-30-25(28-15-17-33(2)3)31-27(32-26)35-16-14-21-8-6-7-9-23(21)19-35/h6-13H,5,14-19H2,1-4H3,(H2,28,29,30,31,32)
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122489
PNG
(CHEMBL3622478)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NC(C)C)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C34H41N7O3/c1-7-41(28-10-8-9-23(4)17-28)31(42)25-13-11-24(12-14-25)20-35-32-37-33(36-22(2)3)39-34(38-32)40-16-15-26-18-29(43-5)30(44-6)19-27(26)21-40/h8-14,17-19,22H,7,15-16,20-21H2,1-6H3,(H2,35,36,37,38,39)
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122487
PNG
(CHEMBL3622480)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H41N7O3/c1-5-45(32-13-9-10-26(2)20-32)35(46)29-16-14-28(15-17-29)24-40-37-41-36(39-23-27-11-7-6-8-12-27)42-38(43-37)44-19-18-30-21-33(47-3)34(48-4)22-31(30)25-44/h6-17,20-22H,5,18-19,23-25H2,1-4H3,(H2,39,40,41,42,43)
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122455
PNG
(CHEMBL3622488)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C36H37N7O/c1-3-43(32-15-9-10-26(2)22-32)33(44)30-18-16-28(17-19-30)24-38-35-39-34(37-23-27-11-5-4-6-12-27)40-36(41-35)42-21-20-29-13-7-8-14-31(29)25-42/h4-19,22H,3,20-21,23-25H2,1-2H3,(H2,37,38,39,40,41)
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n/an/a 61n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122450
PNG
(CHEMBL3622493)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H30N6O/c1-3-35(26-10-6-7-21(2)17-26)27(36)24-13-11-22(12-14-24)18-30-28-31-20-32-29(33-28)34-16-15-23-8-4-5-9-25(23)19-34/h4-14,17,20H,3,15-16,18-19H2,1-2H3,(H,30,31,32,33)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122525
PNG
(CHEMBL3622503)
Show SMILES CCN(C)C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C32H45N9O3/c1-6-39(3)29(42)24-9-7-23(8-10-24)21-34-31-35-30(33-12-14-40-17-15-38(2)16-18-40)36-32(37-31)41-13-11-25-19-27(43-4)28(44-5)20-26(25)22-41/h7-10,19-20H,6,11-18,21-22H2,1-5H3,(H2,33,34,35,36,37)
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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122528
PNG
(CHEMBL3622504)
Show SMILES CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C29H40N8O3/c1-7-36(4)26(38)21-10-8-20(9-11-21)18-31-28-32-27(30-13-15-35(2)3)33-29(34-28)37-14-12-22-16-24(39-5)25(40-6)17-23(22)19-37/h8-11,16-17H,7,12-15,18-19H2,1-6H3,(H2,30,31,32,33,34)
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n/an/a 81n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122458
PNG
(CHEMBL3622485)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCC(O)=O)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C33H37N7O5/c1-5-40(26-8-6-7-21(2)15-26)30(43)23-11-9-22(10-12-23)18-34-31-36-32(35-19-29(41)42)38-33(37-31)39-14-13-24-16-27(44-3)28(45-4)17-25(24)20-39/h6-12,15-17H,5,13-14,18-20H2,1-4H3,(H,41,42)(H2,34,35,36,37,38)
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n/an/a 88n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122454
PNG
(CHEMBL3622489)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(Cl)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C31H33ClN6O3/c1-5-38(25-8-6-7-20(2)15-25)28(39)22-11-9-21(10-12-22)18-33-30-34-29(32)35-31(36-30)37-14-13-23-16-26(40-3)27(41-4)17-24(23)19-37/h6-12,15-17H,5,13-14,18-19H2,1-4H3,(H,33,34,35,36)
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n/an/a 102n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122496
PNG
(CHEMBL3622497)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(NCc3ccc(OC)c(OC)c3)n2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H32N6O3/c1-5-35(24-8-6-7-20(2)15-24)27(36)23-12-9-21(10-13-23)17-30-28-32-19-33-29(34-28)31-18-22-11-14-25(37-3)26(16-22)38-4/h6-16,19H,5,17-18H2,1-4H3,(H2,30,31,32,33,34)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122457
PNG
(CHEMBL3622486)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCc3ccco3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H41N7O4/c1-5-44(30-9-6-8-25(2)20-30)34(45)27-13-11-26(12-14-27)23-39-36-40-35(38-17-15-31-10-7-19-48-31)41-37(42-36)43-18-16-28-21-32(46-3)33(47-4)22-29(28)24-43/h6-14,19-22H,5,15-18,23-24H2,1-4H3,(H2,38,39,40,41,42)
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n/an/a 163n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122488
PNG
(CHEMBL3622479)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(Nc3ccccc3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H39N7O3/c1-5-44(31-13-9-10-25(2)20-31)34(45)27-16-14-26(15-17-27)23-38-35-40-36(39-30-11-7-6-8-12-30)42-37(41-35)43-19-18-28-21-32(46-3)33(47-4)22-29(28)24-43/h6-17,20-22H,5,18-19,23-24H2,1-4H3,(H2,38,39,40,41,42)
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n/an/a 181n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122456
PNG
(CHEMBL3622487)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NC3CCCCC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H45N7O3/c1-5-44(31-13-9-10-25(2)20-31)34(45)27-16-14-26(15-17-27)23-38-35-40-36(39-30-11-7-6-8-12-30)42-37(41-35)43-19-18-28-21-32(46-3)33(47-4)22-29(28)24-43/h9-10,13-17,20-22,30H,5-8,11-12,18-19,23-24H2,1-4H3,(H2,38,39,40,41,42)
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n/an/a 284n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122494
PNG
(CHEMBL3622495)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccc(F)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H29FN6O/c1-3-36(26-6-4-5-20(2)15-26)27(37)23-9-7-21(8-10-23)17-31-28-32-19-33-29(34-28)35-14-13-22-11-12-25(30)16-24(22)18-35/h4-12,15-16,19H,3,13-14,17-18H2,1-2H3,(H,31,32,33,34)
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n/an/a 333n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122493
PNG
(CHEMBL3622494)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(F)ccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H29FN6O/c1-3-36(26-6-4-5-20(2)15-26)27(37)22-9-7-21(8-10-22)17-31-28-32-19-33-29(34-28)35-14-13-23-16-25(30)12-11-24(23)18-35/h4-12,15-16,19H,3,13-14,17-18H2,1-2H3,(H,31,32,33,34)
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n/an/a 370n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122498
PNG
(CHEMBL3622499)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccc(cc2)C(=O)Nc2cccc(C)c2)n1
Show InChI InChI=1S/C36H45N9O3/c1-25-6-5-7-30(20-25)39-33(46)27-10-8-26(9-11-27)23-38-35-40-34(37-13-15-44-18-16-43(2)17-19-44)41-36(42-35)45-14-12-28-21-31(47-3)32(48-4)22-29(28)24-45/h5-11,20-22H,12-19,23-24H2,1-4H3,(H,39,46)(H2,37,38,40,41,42)
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n/an/a 518n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122552
PNG
(CHEMBL3622508)
Show SMILES CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C23H26N6O/c1-3-28(2)21(30)19-10-8-17(9-11-19)14-24-22-25-16-26-23(27-22)29-13-12-18-6-4-5-7-20(18)15-29/h4-11,16H,3,12-15H2,1-2H3,(H,24,25,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122537
PNG
(CHEMBL3622505)
Show SMILES CCN(C)C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C25H30N6O3/c1-5-30(2)23(32)18-8-6-17(7-9-18)14-26-24-27-16-28-25(29-24)31-11-10-19-12-21(33-3)22(34-4)13-20(19)15-31/h6-9,12-13,16H,5,10-11,14-15H2,1-4H3,(H,26,27,28,29)
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n/an/a 1.82E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122499
PNG
(CHEMBL3622500)
Show SMILES CNC(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C30H41N9O3/c1-31-27(40)22-7-5-21(6-8-22)19-33-29-34-28(32-10-12-38-15-13-37(2)14-16-38)35-30(36-29)39-11-9-23-17-25(41-3)26(42-4)18-24(23)20-39/h5-8,17-18H,9-16,19-20H2,1-4H3,(H,31,40)(H2,32,33,34,35,36)
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n/an/a 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122501
PNG
(CHEMBL3622502)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C28H38N8O2/c1-34-13-15-35(16-14-34)12-10-29-26-31-27(30-19-21-7-5-4-6-8-21)33-28(32-26)36-11-9-22-17-24(37-2)25(38-3)18-23(22)20-36/h4-8,17-18H,9-16,19-20H2,1-3H3,(H2,29,30,31,32,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122555
PNG
(CHEMBL3622509)
Show SMILES CCN(C)C(=O)c1ccc(CNc2nc(nc(n2)N2CCc3ccccc3C2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C28H36N8O/c1-4-34(3)25(37)23-11-9-21(10-12-23)19-29-26-30-27(35-17-15-33(2)16-18-35)32-28(31-26)36-14-13-22-7-5-6-8-24(22)20-36/h5-12H,4,13-20H2,1-3H3,(H,29,30,31,32)
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n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122495
PNG
(CHEMBL3622496)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2Cc3ccccc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C28H28N6O/c1-3-34(25-10-6-7-20(2)15-25)26(35)22-13-11-21(12-14-22)16-29-27-30-19-31-28(32-27)33-17-23-8-4-5-9-24(23)18-33/h4-15,19H,3,16-18H2,1-2H3,(H,29,30,31,32)
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n/an/a 5.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122490
PNG
(CHEMBL3622477)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCN3CCN(C)CC3)nc(n2)N2CCCc3ccccc23)cc1)c1cccc(C)c1
Show InChI InChI=1S/C35H43N9O/c1-4-43(30-12-7-9-26(2)23-30)32(45)29-16-14-27(15-17-29)24-36-33-38-34(37-25-42-21-19-41(3)20-22-42)40-35(39-33)44-18-8-11-28-10-5-6-13-31(28)44/h5-7,9-10,12-17,23H,4,8,11,18-22,24-25H2,1-3H3,(H2,36,37,38,39,40)
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n/an/a 6.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122545
PNG
(CHEMBL3622506)
Show SMILES CCN(C)C(=O)c1ccc(CNc2nc(nc(n2)N2CCc3cc(OC)c(OC)cc3C2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C30H40N8O3/c1-6-36(3)27(39)22-9-7-21(8-10-22)19-31-28-32-29(37-15-13-35(2)14-16-37)34-30(33-28)38-12-11-23-17-25(40-4)26(41-5)18-24(23)20-38/h7-10,17-18H,6,11-16,19-20H2,1-5H3,(H,31,32,33,34)
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n/an/a 8.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122497
PNG
(CHEMBL3622498)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCCCC2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C25H30N6O/c1-3-31(22-9-7-8-19(2)16-22)23(32)21-12-10-20(11-13-21)17-26-24-27-18-28-25(29-24)30-14-5-4-6-15-30/h7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,26,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using 5-FAMTPGPLGL[Dap(DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated for 15 mins measured every 30 secs for 30 mins by fluor...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122500
PNG
(CHEMBL3622501)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C29H38N8O4/c1-35-12-14-36(15-13-35)11-9-30-27-32-28(31-18-20-4-6-21(7-5-20)26(38)39)34-29(33-27)37-10-8-22-16-24(40-2)25(41-3)17-23(22)19-37/h4-7,16-17H,8-15,18-19H2,1-3H3,(H,38,39)(H2,30,31,32,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 13


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS13 using FRETSVWF73 as substrate by fluorescence assay


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 (unknown origin) using WAAG-3R as substrate preincubated for 15 mins followed by substrate addition measured every 30 secs for ...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%