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20 similar compounds to monomer 50395723

Compile data set for download or QSAR
Wt: 632.8
BDBM50395678
Wt: 624.8
BDBM50395679
Wt: 650.7
BDBM50395680
Wt: 600.7
BDBM50395681
Wt: 600.7
BDBM50395682
Wt: 602.7
BDBM50395683
Wt: 609.7
BDBM50395684
Wt: 609.7
BDBM50395685
Wt: 662.8
BDBM50395686
Wt: 644.7
BDBM50395712
Wt: 660.8
BDBM50395687
Wt: 612.8
BDBM50395688
Wt: 619.2
BDBM50395689
Wt: 619.2
BDBM50395690
Wt: 644.7
BDBM50395694
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50395678,50395679,50395680,50395681,50395682,50395683,50395684,50395685,50395686,50395712,50395687,50395688,50395689,50395690,50395694   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395683
PNG
(CHEMBL2164084)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN8O2S3/c1-2-3-12-28-24-32-25(29-15-19-17-39-23(31-19)22-7-5-14-38-22)34-26(33-24)35-13-4-6-20(35)16-30-40(36,37)21-10-8-18(27)9-11-21/h5,7-11,14,17,20,30H,2-4,6,12-13,15-16H2,1H3,(H2,28,29,32,33,34)/t20-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50395680
PNG
(CHEMBL2164120)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C27H29F3N8O2S3/c1-2-3-12-31-24-35-25(32-15-19-17-42-23(34-19)22-7-5-14-41-22)37-26(36-24)38-13-4-6-20(38)16-33-43(39,40)21-10-8-18(9-11-21)27(28,29)30/h2,5,7-11,14,17,20,33H,1,3-4,6,12-13,15-16H2,(H2,31,32,35,36,37)/t20-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395682
PNG
(CHEMBL2164085)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C26H32N8O3S3/c1-2-3-11-27-24-31-25(28-15-18-17-39-23(30-18)22-10-6-13-38-22)33-26(32-24)34-12-5-7-19(34)16-29-40(36,37)21-9-4-8-20(35)14-21/h4,6,8-10,13-14,17,19,29,35H,2-3,5,7,11-12,15-16H2,1H3,(H2,27,28,31,32,33)/t19-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395687
PNG
(CHEMBL2164080)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H36N8O2S3/c1-2-3-17-33-30-37-31(34-20-25-22-44-29(36-25)28-12-8-19-43-28)39-32(38-30)40-18-7-11-26(40)21-35-45(41,42)27-15-13-24(14-16-27)23-9-5-4-6-10-23/h4-6,8-10,12-16,19,22,26,35H,2-3,7,11,17-18,20-21H2,1H3,(H2,33,34,37,38,39)/t26-/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395688
PNG
(CHEMBL2164079)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C28H36N8O2S3/c1-4-5-12-29-26-33-27(30-16-21-18-40-25(32-21)24-9-7-14-39-24)35-28(34-26)36-13-6-8-22(36)17-31-41(37,38)23-11-10-19(2)20(3)15-23/h7,9-11,14-15,18,22,31H,4-6,8,12-13,16-17H2,1-3H3,(H2,29,30,33,34,35)/t22-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395685
PNG
(CHEMBL2164082)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H31N9O2S3/c1-2-3-12-29-25-33-26(30-16-20-18-40-24(32-20)23-7-5-14-39-23)35-27(34-25)36-13-4-6-21(36)17-31-41(37,38)22-10-8-19(15-28)9-11-22/h5,7-11,14,18,21,31H,2-4,6,12-13,16-17H2,1H3,(H2,29,30,33,34,35)/t21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395686
PNG
(CHEMBL2164081)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H34N8O4S4/c1-3-4-13-28-25-32-26(29-16-19-18-41-24(31-19)23-8-6-15-40-23)34-27(33-25)35-14-5-7-20(35)17-30-43(38,39)22-11-9-21(10-12-22)42(2,36)37/h6,8-12,15,18,20,30H,3-5,7,13-14,16-17H2,1-2H3,(H2,28,29,32,33,34)/t20-/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395680
PNG
(CHEMBL2164120)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C27H29F3N8O2S3/c1-2-3-12-31-24-35-25(32-15-19-17-42-23(34-19)22-7-5-14-41-22)37-26(36-24)38-13-4-6-20(38)16-33-43(39,40)21-10-8-18(9-11-21)27(28,29)30/h2,5,7-11,14,17,20,33H,1,3-4,6,12-13,15-16H2,(H2,31,32,35,36,37)/t20-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395689
PNG
(CHEMBL2164078)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN8O2S3/c1-2-3-11-28-24-32-25(29-15-19-17-39-23(31-19)22-10-6-13-38-22)34-26(33-24)35-12-5-8-20(35)16-30-40(36,37)21-9-4-7-18(27)14-21/h4,6-7,9-10,13-14,17,20,30H,2-3,5,8,11-12,15-16H2,1H3,(H2,28,29,32,33,34)/t20-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395679
PNG
(CHEMBL2164121)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C29H36N8O2S3/c1-3-5-15-30-27-34-28(31-18-22-20-41-26(33-22)25-10-7-17-40-25)36-29(35-27)37-16-6-9-23(37)19-32-42(38,39)24-13-11-21(8-4-2)12-14-24/h3,7,10-14,17,20,23,32H,1,4-6,8-9,15-16,18-19H2,2H3,(H2,30,31,34,35,36)/t23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395712
PNG
(CHEMBL2164117)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C29H31F3N8O2S2/c1-2-3-15-33-26-37-27(34-17-22-19-43-25(36-22)20-8-5-4-6-9-20)39-28(38-26)40-16-7-10-23(40)18-35-44(41,42)24-13-11-21(12-14-24)29(30,31)32/h2,4-6,8-9,11-14,19,23,35H,1,3,7,10,15-18H2,(H2,33,34,37,38,39)/t23-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395681
PNG
(CHEMBL2164086)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H32N8O3S3/c1-2-3-12-27-24-31-25(28-15-18-17-39-23(30-18)22-7-5-14-38-22)33-26(32-24)34-13-4-6-19(34)16-29-40(36,37)21-10-8-20(35)9-11-21/h5,7-11,14,17,19,29,35H,2-4,6,12-13,15-16H2,1H3,(H2,27,28,31,32,33)/t19-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395690
PNG
(CHEMBL2163738)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN8O2S3/c1-2-3-12-28-24-32-25(29-15-19-17-39-23(31-19)22-7-5-14-38-22)34-26(33-24)35-13-4-6-20(35)16-30-40(36,37)21-10-8-18(27)9-11-21/h5,7-11,14,17,20,30H,2-4,6,12-13,15-16H2,1H3,(H2,28,29,32,33,34)/t20-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395694
PNG
(CHEMBL2163734)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C29H31F3N8O2S2/c1-2-3-15-33-26-37-27(34-17-21-19-43-25(36-21)20-10-5-4-6-11-20)39-28(38-26)40-16-9-12-22(40)18-35-44(41,42)24-14-8-7-13-23(24)29(30,31)32/h2,4-8,10-11,13-14,19,22,35H,1,3,9,12,15-18H2,(H2,33,34,37,38,39)/t22-/m1/s1
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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 ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50395679
PNG
(CHEMBL2164121)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C29H36N8O2S3/c1-3-5-15-30-27-34-28(31-18-22-20-41-26(33-22)25-10-7-17-40-25)36-29(35-27)37-16-6-9-23(37)19-32-42(38,39)24-13-11-21(8-4-2)12-14-24/h3,7,10-14,17,20,23,32H,1,4-6,8-9,15-16,18-19H2,2H3,(H2,30,31,34,35,36)/t23-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50395680
PNG
(CHEMBL2164120)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C27H29F3N8O2S3/c1-2-3-12-31-24-35-25(32-15-19-17-42-23(34-19)22-7-5-14-41-22)37-26(36-24)38-13-4-6-20(38)16-33-43(39,40)21-10-8-18(9-11-21)27(28,29)30/h2,5,7-11,14,17,20,33H,1,3-4,6,12-13,15-16H2,(H2,31,32,35,36,37)/t20-/m1/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens)
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-1 using FAM (5-carbosyfluorescein)-AE*LQGRPISIAK substrate after 2 hrs


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens)
BDBM50395679
PNG
(CHEMBL2164121)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C29H36N8O2S3/c1-3-5-15-30-27-34-28(31-18-22-20-41-26(33-22)25-10-7-17-40-25)36-29(35-27)37-16-6-9-23(37)19-32-42(38,39)24-13-11-21(8-4-2)12-14-24/h3,7,10-14,17,20,23,32H,1,4-6,8-9,15-16,18-19H2,2H3,(H2,30,31,34,35,36)/t23-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-1 using FAM (5-carbosyfluorescein)-AE*LQGRPISIAK substrate after 2 hrs


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens)
BDBM50395680
PNG
(CHEMBL2164120)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C27H29F3N8O2S3/c1-2-3-12-31-24-35-25(32-15-19-17-42-23(34-19)22-7-5-14-41-22)37-26(36-24)38-13-4-6-20(38)16-33-43(39,40)21-10-8-18(9-11-21)27(28,29)30/h2,5,7-11,14,17,20,33H,1,3-4,6,12-13,15-16H2,(H2,31,32,35,36,37)/t20-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-1 using FAM (5-carbosyfluorescein)-AE*LQGRPISIAK substrate after 2 hrs


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50395679
PNG
(CHEMBL2164121)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C29H36N8O2S3/c1-3-5-15-30-27-34-28(31-18-22-20-41-26(33-22)25-10-7-17-40-25)36-29(35-27)37-16-6-9-23(37)19-32-42(38,39)24-13-11-21(8-4-2)12-14-24/h3,7,10-14,17,20,23,32H,1,4-6,8-9,15-16,18-19H2,2H3,(H2,30,31,34,35,36)/t23-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50395680
PNG
(CHEMBL2164120)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C27H29F3N8O2S3/c1-2-3-12-31-24-35-25(32-15-19-17-42-23(34-19)22-7-5-14-41-22)37-26(36-24)38-13-4-6-20(38)16-33-43(39,40)21-10-8-18(9-11-21)27(28,29)30/h2,5,7-11,14,17,20,33H,1,3-4,6,12-13,15-16H2,(H2,31,32,35,36,37)/t20-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50395679
PNG
(CHEMBL2164121)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1
Show InChI InChI=1S/C29H36N8O2S3/c1-3-5-15-30-27-34-28(31-18-22-20-41-26(33-22)25-10-7-17-40-25)36-29(35-27)37-16-6-9-23(37)19-32-42(38,39)24-13-11-21(8-4-2)12-14-24/h3,7,10-14,17,20,23,32H,1,4-6,8-9,15-16,18-19H2,2H3,(H2,30,31,34,35,36)/t23-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 mins


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395684
PNG
(CHEMBL2164083)
Show SMILES CCCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C27H31N9O2S3/c1-2-3-11-29-25-33-26(30-16-20-18-40-24(32-20)23-10-6-13-39-23)35-27(34-25)36-12-5-8-21(36)17-31-41(37,38)22-9-4-7-19(14-22)15-28/h4,6-7,9-10,13-14,18,21,31H,2-3,5,8,11-12,16-17H2,1H3,(H2,29,30,33,34,35)/t21-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair