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8 similar compounds to monomer 50311088

Compile data set for download or QSAR
Wt: 423.8
BDBM50311083
Wt: 437.9
BDBM50311087
Wt: 389.8
BDBM50311089
Wt: 429.9
BDBM50311090
Wt: 375.8
BDBM50311091
Wt: 433.5
BDBM50341816
Wt: 417.5
BDBM50341824
Wt: 451.9
BDBM50341827

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50311083,50311087,50311089,50311090,50311091,50341816,50341824,50341827   
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))
BDBM50311087
PNG
((1S,2R)-1-(5-(4-chloro-1H-pyrazol-1-yl)thiophene-2...)
Show SMILES C[C@@]1(C[C@@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-17(12-5-3-2-4-6-12)11-18(17,16(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-10,21H,11H2,1H3,(H,23,24)/t17-,18-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311083
PNG
((1S,2R)-1-(5-(4-chloro-1H-pyrazol-1-yl)thiophene-2...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1
Show InChI InChI=1S/C17H14ClN3O4S2/c18-12-9-19-21(10-12)14-6-7-15(26-14)27(24,25)20-17(16(22)23)8-13(17)11-4-2-1-3-5-11/h1-7,9-10,13,20H,8H2,(H,22,23)/t13-,17+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311090
PNG
(CHEMBL1078625 | rac-1-(5-(4-chloro-1H-pyrazol-1-yl...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1C1CCCCC1)NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1
Show InChI InChI=1S/C17H20ClN3O4S2/c18-12-9-19-21(10-12)14-6-7-15(26-14)27(24,25)20-17(16(22)23)8-13(17)11-4-2-1-3-5-11/h6-7,9-11,13,20H,1-5,8H2,(H,22,23)/t13-,17+/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311089
PNG
(CHEMBL1078624 | rac-1-(5-(4-chloro-1H-pyrazol-1-yl...)
Show SMILES CC(C)[C@H]1C[C@@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8(2)10-5-14(10,13(19)20)17-24(21,22)12-4-3-11(23-12)18-7-9(15)6-16-18/h3-4,6-8,10,17H,5H2,1-2H3,(H,19,20)/t10-,14+/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311091
PNG
(CHEMBL1078322 | rac-1-(5-(4-chloro-1H-pyrazol-1-yl...)
Show SMILES C[C@H]1[C@@H](C)[C@@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C13H14ClN3O4S2/c1-7-8(2)13(7,12(18)19)16-23(20,21)11-4-3-10(22-11)17-6-9(14)5-15-17/h3-8,16H,1-2H3,(H,18,19)/t7-,8+,13+
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n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a<300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341827
PNG
((1S,2R,3R)-1-[5-(4-Chloropyrazol-1-yl)-4-methylthi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc(C)c(s1)-n1cc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C19H18ClN3O4S2/c1-11-8-15(28-17(11)23-10-14(20)9-21-23)29(26,27)22-19(18(24)25)12(2)16(19)13-6-4-3-5-7-13/h3-10,12,16,22H,1-2H3,(H,24,25)/t12-,16-,19+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair