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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50229641   
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
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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n/an/a 7.80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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PubMed
n/an/a 13n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50229641
PNG
(CHEMBL400528 | pyrrolidin-3-yl 4-((4-(4-cyano-2-me...)
Show SMILES Cc1cc(ccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO)C#N |w:26.28|
Show InChI InChI=1S/C25H35N5O6S/c1-18-14-19(15-26)2-3-22(18)20-5-10-30(11-6-20)37(34,35)17-25(23(31)28-33)7-12-29(13-8-25)24(32)36-21-4-9-27-16-21/h2-3,14,20-21,27,33H,4-13,16-17H2,1H3,(H,28,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair