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15 similar compounds to monomer 50395713

Compile data set for download or QSAR
Wt: 617.7
BDBM50395676
Wt: 604.7
BDBM50395677
Wt: 624.8
BDBM50395679
Wt: 644.7
BDBM50395712
Wt: 622.8
BDBM50395714
Wt: 608.7
BDBM50395715
Wt: 632.8
BDBM50395716
Wt: 632.8
BDBM50395717
Wt: 620.8
BDBM50395718
Wt: 576.7
BDBM50395692
Wt: 606.7
BDBM50395693
Wt: 644.7
BDBM50395694
Wt: 644.7
BDBM50395698
Wt: 620.8
BDBM50395719
Wt: 606.8
BDBM50395720

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50395676,50395677,50395679,50395712,50395714,50395715,50395716,50395717,50395718,50395692,50395693,50395694,50395698,50395719,50395720   
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))
BDBM50395676
PNG
(CHEMBL2164113)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/m1/s1
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n/an/a 90n/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))
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))
BDBM50395714
PNG
(CHEMBL2164115)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCOC)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H38N8O3S2/c1-3-8-22-12-14-26(15-13-22)43(39,40)33-20-25-11-7-17-38(25)30-36-28(31-16-18-41-2)35-29(37-30)32-19-24-21-42-27(34-24)23-9-5-4-6-10-23/h4-6,9-10,12-15,21,25,33H,3,7-8,11,16-20H2,1-2H3,(H2,31,32,35,36,37)/t25-/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))
BDBM50395715
PNG
(CHEMBL2164114)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCO)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C29H36N8O3S2/c1-2-7-21-11-13-25(14-12-21)42(39,40)32-19-24-10-6-16-37(24)29-35-27(30-15-17-38)34-28(36-29)31-18-23-20-41-26(33-23)22-8-4-3-5-9-22/h3-5,8-9,11-14,20,24,32,38H,2,6-7,10,15-19H2,1H3,(H2,30,31,34,35,36)/t24-/m1/s1
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n/an/a 260n/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))
BDBM50395718
PNG
(CHEMBL2164109)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCC(C)C)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C31H40N8O2S2/c1-4-9-23-13-15-27(16-14-23)43(40,41)34-20-26-12-8-17-39(26)31-37-29(32-18-22(2)3)36-30(38-31)33-19-25-21-42-28(35-25)24-10-6-5-7-11-24/h5-7,10-11,13-16,21-22,26,34H,4,8-9,12,17-20H2,1-3H3,(H2,32,33,36,37,38)/t26-/m1/s1
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n/an/a 120n/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))
BDBM50395719
PNG
(CHEMBL2164108)
Show SMILES CCCN(C)c1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C31H40N8O2S2/c1-4-10-23-14-16-27(17-15-23)43(40,41)33-21-26-13-9-19-39(26)31-36-29(35-30(37-31)38(3)18-5-2)32-20-25-22-42-28(34-25)24-11-7-6-8-12-24/h6-8,11-12,14-17,22,26,33H,4-5,9-10,13,18-21H2,1-3H3,(H,32,35,36,37)/t26-/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))
BDBM50395677
PNG
(CHEMBL2164111)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1
Show InChI InChI=1S/C30H36N8O2S2/c1-2-7-21-11-15-26(16-12-21)42(39,40)32-19-25-10-6-17-38(25)30-36-28(35-29(37-30)34-23-13-14-23)31-18-24-20-41-27(33-24)22-8-4-3-5-9-22/h3-5,8-9,11-12,15-16,20,23,25,32H,2,6-7,10,13-14,17-19H2,1H3,(H2,31,34,35,36,37)/t25-/m1/s1
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n/an/a 70n/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))
BDBM50395717
PNG
(CHEMBL2164110)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC2CC2)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C32H40N8O2S2/c1-2-7-23-13-15-28(16-14-23)44(41,42)35-21-27-10-6-19-40(27)32-38-30(33-18-17-24-11-12-24)37-31(39-32)34-20-26-22-43-29(36-26)25-8-4-3-5-9-25/h3-5,8-9,13-16,22,24,27,35H,2,6-7,10-12,17-21H2,1H3,(H2,33,34,37,38,39)/t27-/m1/s1
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n/an/a 3.80E+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))
BDBM50395720
PNG
(CHEMBL2164107)
Show SMILES CCCNc1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C30H38N8O2S2/c1-3-9-22-13-15-26(16-14-22)42(39,40)33-20-25-12-8-18-38(25)30-36-28(31-17-4-2)35-29(37-30)32-19-24-21-41-27(34-24)23-10-6-5-7-11-23/h5-7,10-11,13-16,21,25,33H,3-4,8-9,12,17-20H2,1-2H3,(H2,31,32,35,36,37)/t25-/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))
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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50395677
PNG
(CHEMBL2164111)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1
Show InChI InChI=1S/C30H36N8O2S2/c1-2-7-21-11-15-26(16-12-21)42(39,40)32-19-25-10-6-17-38(25)30-36-28(35-29(37-30)34-23-13-14-23)31-18-24-20-41-27(33-24)22-8-4-3-5-9-22/h3-5,8-9,11-12,15-16,20,23,25,32H,2,6-7,10,13-14,17-19H2,1H3,(H2,31,34,35,36,37)/t25-/m1/s1
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n/an/a 8.30E+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))
BDBM50395676
PNG
(CHEMBL2164113)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/m1/s1
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n/an/a 1.20E+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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395693
PNG
(CHEMBL2163735)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C29H34N8O3S2/c1-3-4-16-30-27-34-28(31-18-22-20-41-26(33-22)21-9-6-5-7-10-21)36-29(35-27)37-17-8-11-23(37)19-32-42(38,39)25-14-12-24(40-2)13-15-25/h3,5-7,9-10,12-15,20,23,32H,1,4,8,11,16-19H2,2H3,(H2,30,31,34,35,36)/t23-/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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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))
BDBM50395692
PNG
(CHEMBL2163736)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2ccccc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H32N8O2S2/c1-2-3-16-29-26-33-27(30-18-22-20-39-25(32-22)21-11-6-4-7-12-21)35-28(34-26)36-17-10-13-23(36)19-31-40(37,38)24-14-8-5-9-15-24/h2,4-9,11-12,14-15,20,23,31H,1,3,10,13,16-19H2,(H2,29,30,33,34,35)/t23-/m1/s1
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n/an/a 230n/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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395698
PNG
(CHEMBL2164099)
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-/m0/s1
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n/an/a 1.56E+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
ADAMTS1


(Homo sapiens)
BDBM50395676
PNG
(CHEMBL2164113)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/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)
BDBM50395677
PNG
(CHEMBL2164111)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1
Show InChI InChI=1S/C30H36N8O2S2/c1-2-7-21-11-15-26(16-12-21)42(39,40)32-19-25-10-6-17-38(25)30-36-28(35-29(37-30)34-23-13-14-23)31-18-24-20-41-27(33-24)22-8-4-3-5-9-22/h3-5,8-9,11-12,15-16,20,23,25,32H,2,6-7,10,13-14,17-19H2,1H3,(H2,31,34,35,36,37)/t25-/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
Collagenase


(Homo sapiens (human))
BDBM50395676
PNG
(CHEMBL2164113)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/m1/s1
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n/an/a 7.90E+3n/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))
BDBM50395677
PNG
(CHEMBL2164111)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1
Show InChI InChI=1S/C30H36N8O2S2/c1-2-7-21-11-15-26(16-12-21)42(39,40)32-19-25-10-6-17-38(25)30-36-28(35-29(37-30)34-23-13-14-23)31-18-24-20-41-27(33-24)22-8-4-3-5-9-22/h3-5,8-9,11-12,15-16,20,23,25,32H,2,6-7,10,13-14,17-19H2,1H3,(H2,31,34,35,36,37)/t25-/m1/s1
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n/an/a 7.90E+3n/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
ADAM17


(Homo sapiens (Human))
BDBM50395676
PNG
(CHEMBL2164113)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
Show InChI InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/m1/s1
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n/an/a 1.99E+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))
BDBM50395677
PNG
(CHEMBL2164111)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CC2)n1
Show InChI InChI=1S/C30H36N8O2S2/c1-2-7-21-11-15-26(16-12-21)42(39,40)32-19-25-10-6-17-38(25)30-36-28(35-29(37-30)34-23-13-14-23)31-18-24-20-41-27(33-24)22-8-4-3-5-9-22/h3-5,8-9,11-12,15-16,20,23,25,32H,2,6-7,10,13-14,17-19H2,1H3,(H2,31,34,35,36,37)/t25-/m1/s1
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n/an/a 1.26E+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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395716
PNG
(CHEMBL2164112)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCc2csc(n2)-c2ccccc2)nc(NC2CCCC2)n1
Show InChI InChI=1S/C32H40N8O2S2/c1-2-9-23-15-17-28(18-16-23)44(41,42)34-21-27-14-8-19-40(27)32-38-30(37-31(39-32)36-25-12-6-7-13-25)33-20-26-22-43-29(35-26)24-10-4-3-5-11-24/h3-5,10-11,15-18,22,25,27,34H,2,6-9,12-14,19-21H2,1H3,(H2,33,36,37,38,39)/t27-/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