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Compile Data Set for Download or QSAR

Found 12 hits of ki data for polymerid = 50007008   
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
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135269
PNG
(CHEMBL3745775)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19+,20+,21+/m1/s1
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8n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50032936
PNG
(CHEMBL3356589)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C28H48N10O6S/c1-16(2)15-21(26(44)36-18(8-6-12-34-28(31)32)23(41)27-33-13-14-45-27)38-25(43)20(9-10-22(30)40)37-24(42)19(35-17(3)39)7-4-5-11-29/h13-14,16,18-21H,4-12,15,29H2,1-3H3,(H2,30,40)(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H4,31,32,34)/t18-,19-,20-,21-/m0/s1
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10n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135268
PNG
(CHEMBL3747482)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C22H36N8O5S/c1-12(2)11-16(30-19(34)15(28-13(3)31)6-7-17(23)32)20(35)29-14(5-4-8-27-22(24)25)18(33)21-26-9-10-36-21/h9-10,12,14-16H,4-8,11H2,1-3H3,(H2,23,32)(H,28,31)(H,29,35)(H,30,34)(H4,24,25,27)/t14-,15-,16-/m0/s1
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11n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135270
PNG
(CHEMBL3747468)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C22H36N8O5S/c1-12(2)11-16(30-19(34)15(28-13(3)31)6-7-17(23)32)20(35)29-14(5-4-8-27-22(24)25)18(33)21-26-9-10-36-21/h9-10,12,14-16H,4-8,11H2,1-3H3,(H2,23,32)(H,28,31)(H,29,35)(H,30,34)(H4,24,25,27)/t14-,15+,16+/m1/s1
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11n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135275
PNG
(CHEMBL3746517)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16+/m1/s1
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177n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135274
PNG
(CHEMBL404190)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1
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227n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135272
PNG
(CHEMBL3747618)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C17H28N6O3S/c1-10(2)9-13(22-11(3)24)15(26)23-12(5-4-6-21-17(18)19)14(25)16-20-7-8-27-16/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,26)(H4,18,19,21)/t12-,13+/m1/s1
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246n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135271
PNG
(CHEMBL3747575)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C17H28N6O3S/c1-10(2)9-13(22-11(3)24)15(26)23-12(5-4-6-21-17(18)19)14(25)16-20-7-8-27-16/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,26)(H4,18,19,21)/t12-,13-/m0/s1
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334n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135278
PNG
(CHEMBL3747693)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C19H35N5O6/c1-11(2)10-15(19(29)30)24-18(28)14(7-8-16(21)26)23-17(27)13(22-12(3)25)6-4-5-9-20/h11,13-15H,4-10,20H2,1-3H3,(H2,21,26)(H,22,25)(H,23,27)(H,24,28)(H,29,30)/t13-,14-,15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135276
PNG
(CHEMBL3746062)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H31N5O3/c1-13(2)12-17(24-14(3)26)19(28)25-16(10-7-11-23-20(21)22)18(27)15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,24,26)(H,25,28)(H4,21,22,23)/t16-,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135277
PNG
(CHEMBL3746635)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H31N5O3/c1-13(2)12-17(24-14(3)26)19(28)25-16(10-7-11-23-20(21)22)18(27)15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,24,26)(H,25,28)(H4,21,22,23)/t16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135273
PNG
(CHEMBL3747752)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1S/C11H17N5O2S/c1-7(17)16-8(3-2-4-15-11(12)13)9(18)10-14-5-6-19-10/h5-6,8H,2-4H2,1H3,(H,16,17)(H4,12,13,15)/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair