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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50345536   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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


(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 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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US Patent
n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca



Assay Description
Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2BC41VN
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 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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PC sid
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Article
PubMed
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