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4 similar compounds to monomer 50345539

Compile data set for download or QSAR
Wt: 573.6
BDBM50345535
Wt: 577.6
BDBM50345536
Wt: 540.1
BDBM50345537
Wt: 505.6
BDBM50345538

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50345535,50345536,50345537,50345538   
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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345538
PNG
(CHEMBL1784337 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1ccccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H39N3O5S/c1-21-5-2-3-6-23(21)10-9-22-11-15-28(16-12-22)35(33,34)19-26(29(32)20-30)13-17-27(18-14-26)25(31)24-7-4-8-24/h2-3,5-6,20,22,24,32H,4,7-19H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345536
PNG
(CHEMBL1784370 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccc(F)cc3C(F)(F)F)CC2)CCN(CC1)C(=O)C1CCC1
Show InChI InChI=1S/C26H35F4N3O5S/c27-22-7-6-20(23(16-22)26(28,29)30)5-4-19-8-12-32(13-9-19)39(37,38)17-25(33(36)18-34)10-14-31(15-11-25)24(35)21-2-1-3-21/h6-7,16,18-19,21,36H,1-5,8-15,17H2
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345535
PNG
(CHEMBL1784371 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O)C(F)(F)F
Show InChI InChI=1S/C27H38F3N3O5S/c1-20-17-24(27(28,29)30)8-7-22(20)6-5-21-9-13-32(14-10-21)39(37,38)18-26(33(36)19-34)11-15-31(16-12-26)25(35)23-3-2-4-23/h7-8,17,19,21,23,36H,2-6,9-16,18H2,1H3
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345536
PNG
(CHEMBL1784370 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccc(F)cc3C(F)(F)F)CC2)CCN(CC1)C(=O)C1CCC1
Show InChI InChI=1S/C26H35F4N3O5S/c27-22-7-6-20(23(16-22)26(28,29)30)5-4-19-8-12-32(13-9-19)39(37,38)17-25(33(36)18-34)10-14-31(15-11-25)24(35)21-2-1-3-21/h6-7,16,18-19,21,36H,1-5,8-15,17H2
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345538
PNG
(CHEMBL1784337 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1ccccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H39N3O5S/c1-21-5-2-3-6-23(21)10-9-22-11-15-28(16-12-22)35(33,34)19-26(29(32)20-30)13-17-27(18-14-26)25(31)24-7-4-8-24/h2-3,5-6,20,22,24,32H,4,7-19H2,1H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345535
PNG
(CHEMBL1784371 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O)C(F)(F)F
Show InChI InChI=1S/C27H38F3N3O5S/c1-20-17-24(27(28,29)30)8-7-22(20)6-5-21-9-13-32(14-10-21)39(37,38)18-26(33(36)19-34)11-15-31(16-12-26)25(35)23-3-2-4-23/h7-8,17,19,21,23,36H,2-6,9-16,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345537
PNG
(CHEMBL1784369 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345537
PNG
(CHEMBL1784369 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair