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7 similar compounds to monomer 50395702

Compile data set for download or QSAR
Wt: 551.7
BDBM50395703
Wt: 543.7
BDBM50395707
Wt: 561.6
BDBM50395708
Wt: 637.7
BDBM50395711
Wt: 489.6
BDBM50395699
Wt: 501.6
BDBM50395700
Wt: 515.7
BDBM50395701

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50395703,50395707,50395708,50395711,50395699,50395700,50395701   
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))
BDBM50395711
PNG
(CHEMBL2164118)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C32H34F3N7O2S/c1-2-3-19-36-29-39-30(37-21-23-11-13-25(14-12-23)24-8-5-4-6-9-24)41-31(40-29)42-20-7-10-27(42)22-38-45(43,44)28-17-15-26(16-18-28)32(33,34)35/h2,4-6,8-9,11-18,27,38H,1,3,7,10,19-22H2,(H2,36,37,39,40,41)/t27-/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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395703
PNG
(CHEMBL2164093)
Show SMILES CCCCNc1nc(NCc2cccc(C)c2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C29H41N7O2S/c1-4-6-17-30-27-33-28(31-20-24-11-7-10-22(3)19-24)35-29(34-27)36-18-8-12-25(36)21-32-39(37,38)26-15-13-23(9-5-2)14-16-26/h7,10-11,13-16,19,25,32H,4-6,8-9,12,17-18,20-21H2,1-3H3,(H2,30,31,33,34,35)/t25-/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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395707
PNG
(CHEMBL2164089)
Show SMILES CCCCNc1nc(NCc2ccsc2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C26H37N7O2S2/c1-3-5-14-27-24-30-25(28-17-21-13-16-36-19-21)32-26(31-24)33-15-6-8-22(33)18-29-37(34,35)23-11-9-20(7-4-2)10-12-23/h9-13,16,19,22,29H,3-8,14-15,17-18H2,1-2H3,(H2,27,28,30,31,32)/t22-/m1/s1
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n/an/a 1.17E+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))
BDBM50395701
PNG
(CHEMBL2164096)
Show SMILES CCCCNc1nc(NC2CCCC2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C26H41N7O2S/c1-3-5-17-27-24-30-25(29-21-10-6-7-11-21)32-26(31-24)33-18-8-12-22(33)19-28-36(34,35)23-15-13-20(9-4-2)14-16-23/h13-16,21-22,28H,3-12,17-19H2,1-2H3,(H2,27,29,30,31,32)/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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395699
PNG
(CHEMBL2164098)
Show SMILES CCCCNc1nc(NC(C)C)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C24H39N7O2S/c1-5-7-15-25-22-28-23(27-18(3)4)30-24(29-22)31-16-8-10-20(31)17-26-34(32,33)21-13-11-19(9-6-2)12-14-21/h11-14,18,20,26H,5-10,15-17H2,1-4H3,(H2,25,27,28,29,30)/t20-/m1/s1
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n/an/a 5.80E+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))
BDBM50395700
PNG
(CHEMBL2164097)
Show SMILES CCCCNc1nc(NCC2CC2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show InChI InChI=1S/C25H39N7O2S/c1-3-5-15-26-23-29-24(27-17-20-9-10-20)31-25(30-23)32-16-6-8-21(32)18-28-35(33,34)22-13-11-19(7-4-2)12-14-22/h11-14,20-21,28H,3-10,15-18H2,1-2H3,(H2,26,27,29,30,31)/t21-/m1/s1
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n/an/a 6.50E+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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395708
PNG
(CHEMBL2164088)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C26H30F3N7O2S/c1-2-3-15-30-23-33-24(31-17-19-8-5-4-6-9-19)35-25(34-23)36-16-7-10-21(36)18-32-39(37,38)22-13-11-20(12-14-22)26(27,28)29/h2,4-6,8-9,11-14,21,32H,1,3,7,10,15-18H2,(H2,30,31,33,34,35)/t21-/m1/s1
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n/an/a 870n/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