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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50122449   
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))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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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 recombinant MMP13 using 5-FAMTPGPLGL[Dap(DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 (unknown origin) using WAAG-3R as substrate preincubated for 15 mins followed by substrate addition measured every 30 secs for ...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 13


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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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 recombinant ADAMTS13 using FRETSVWF73 as substrate by fluorescence assay


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50122449
PNG
(CHEMBL3622483)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCCN3CCN(C)CC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C38H49N9O3/c1-6-47(32-9-7-8-27(2)22-32)35(48)29-12-10-28(11-13-29)25-40-37-41-36(39-15-17-45-20-18-44(3)19-21-45)42-38(43-37)46-16-14-30-23-33(49-4)34(50-5)24-31(30)26-46/h7-13,22-24H,6,14-21,25-26H2,1-5H3,(H2,39,40,41,42,43)
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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 recombinant TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated for 15 mins measured every 30 secs for 30 mins by fluor...


ACS Med Chem Lett 6: 888-93 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00138
BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair