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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'nakai' and Initial = 'r'   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of human Lyn


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of Fyn


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054109
PNG
(CHEMBL3319301)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
Show InChI InChI=1/C20H30N4O4S2/c1-18(2,3)15(25)22-17-23-24(16(26)19(4,5)6)20(29-17,13-21-30(7,27)28)14-11-9-8-10-12-14/h8-12,21H,13H2,1-7H3,(H,22,23,25)
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n/an/a 44n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:6|
Show InChI InChI=1/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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n/an/a 48n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:5|
Show InChI InChI=1/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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n/an/a 64n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:6|
Show InChI InChI=1/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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n/an/a 110n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:5|
Show InChI InChI=1/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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n/an/a 111n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054136
PNG
(CHEMBL3319302)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CCNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
Show InChI InChI=1/C21H32N4O4S2/c1-19(2,3)16(26)23-18-24-25(17(27)20(4,5)6)21(30-18,13-14-22-31(7,28)29)15-11-9-8-10-12-15/h8-12,22H,13-14H2,1-7H3,(H,23,24,26)
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n/an/a 120n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 280n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50054108
PNG
(CHEMBL3356912)
Show SMILES CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)C(C)(S1)c1ccccc1 |t:7|
Show InChI InChI=1/C19H27N3O2S/c1-13(2)11-16(23)20-18-21-22(17(24)12-14(3)4)19(5,25-18)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,20,21,23)
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n/an/a 520n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
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n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
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n/an/a 920n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 1.02E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50431886
PNG
(CHEMBL1413473)
Show SMILES CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 |t:4|
Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
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n/an/a 3.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247207
PNG
(2-(biphenyl-4-ylsulfonamido)pentanedioic acid | CH...)
Show SMILES OC(=O)CCC(NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247490
PNG
(4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid ...)
Show SMILES CCCCCCOc1ccc(cc1)C(CC(O)=O)C(N)=O
Show InChI InChI=1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM40467
PNG
(2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclope...)
Show SMILES Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM40478
PNG
(2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-py...)
Show SMILES COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 by fluorogenic substrate assay


Bioorg Med Chem 17: 1101-8 (2009)


Article DOI: 10.1016/j.bmc.2008.03.018
BindingDB Entry DOI: 10.7270/Q2XS5V5D
More data for this
Ligand-Target Pair