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Compile Data Set for Download or QSAR

Found 615 hits with Last Name = 'thomason' and Initial = 'j'   
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
Collagenase


(Homo sapiens (Human))
BDBM50356214
PNG
(CHEMBL1910471)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239500
PNG
(CHEMBL4066705)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356215
PNG
(CHEMBL1910473)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239498
PNG
(CHEMBL4093120)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173235
PNG
((S)-2-{4'-[(5-Bromo-4-methoxy-benzofuran-2-carbony...)
Show SMILES COc1c(Br)ccc2oc(cc12)C(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C27H25BrN2O7S/c1-15(2)24(27(32)33)30-38(34,35)19-10-6-17(7-11-19)16-4-8-18(9-5-16)29-26(31)23-14-20-22(37-23)13-12-21(28)25(20)36-3/h4-15,24,30H,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239507
PNG
(CHEMBL4091434)
Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239508
PNG
(CHEMBL4085199)
Show SMILES [H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173236
PNG
((S)-2-{4'-[(5-Bromo-benzofuran-2-carbonyl)-amino]-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C26H23BrN2O6S/c1-15(2)24(26(31)32)29-36(33,34)21-10-5-17(6-11-21)16-3-8-20(9-4-16)28-25(30)23-14-18-13-19(27)7-12-22(18)35-23/h3-15,24,29H,1-2H3,(H,28,30)(H,31,32)/t24-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356209
PNG
(CHEMBL1910466)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(C)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N2O5S/c1-16(2)23(24(27)28)26-32(29,30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)31-15-18-12-13-25-17(3)14-18/h4-14,16,23,26H,15H2,1-3H3,(H,27,28)/t23-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006915
PNG
(CHEMBL3236929)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3F)c2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C24H19F3N2O3/c1-14-18(19-10-17(25)6-7-21(19)29(14)13-23(31)32)9-15-5-8-22(30)28(11-15)12-16-3-2-4-20(26)24(16)27/h2-8,10-11H,9,12-13H2,1H3,(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401116
PNG
(CHEMBL2204474)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cc(F)c(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H17F4N3O3/c1-12-16(17-7-14(24)2-4-21(17)29(12)11-23(32)33)8-15-3-5-22(31)30(28-15)10-13-6-19(26)20(27)9-18(13)25/h2-7,9H,8,10-11H2,1H3,(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173236
PNG
((S)-2-{4'-[(5-Bromo-benzofuran-2-carbonyl)-amino]-...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C26H23BrN2O6S/c1-15(2)24(26(31)32)29-36(33,34)21-10-5-17(6-11-21)16-3-8-20(9-4-16)28-25(30)23-14-18-13-19(27)7-12-22(18)35-23/h3-15,24,29H,1-2H3,(H,28,30)(H,31,32)/t24-/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-2


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006823
PNG
(CHEMBL3236950)
Show SMILES Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(20.58,-56.23,;19.11,-56.7,;17.87,-55.8,;17.87,-54.26,;19.21,-53.49,;19.21,-51.95,;20.54,-51.18,;21.88,-51.96,;23.21,-51.19,;24.55,-51.96,;25.88,-51.19,;24.55,-53.5,;26.03,-52.36,;17.87,-51.18,;17.87,-49.64,;16.54,-51.96,;15.21,-51.19,;13.88,-51.96,;13.89,-53.5,;15.22,-54.26,;16.54,-53.49,;16.62,-56.71,;15.12,-56.39,;14.1,-57.53,;12.59,-57.21,;14.57,-58.99,;16.07,-59.3,;17.09,-58.17,;18.63,-58.17,;19.54,-59.42,;21.07,-59.26,;21.7,-57.85,;21.98,-60.5,)|
Show InChI InChI=1S/C24H20F4N2O3/c1-14-22(18-11-15(25)7-8-20(18)30(14)13-21(31)32)19-12-29(10-4-9-24(26,27)28)23(33)17-6-3-2-5-16(17)19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356210
PNG
(CHEMBL1910467)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-9-5-18(6-10-20)17-3-7-19(8-4-17)34-14-16-11-12-28-21(13-16)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50259007
PNG
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 2487-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356208
PNG
(CHEMBL1910465)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239491
PNG
(CHEMBL4083655)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r|
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239493
PNG
(CHEMBL4103497)
Show SMILES CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50259007
PNG
((R)-2-(4'-((4-isobutyrylphenoxy)methyl)biphenyl-4-...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc(cc2)C(=O)C(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 19: 2487-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006830
PNG
(CHEMBL3236948)
Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356206
PNG
(CHEMBL1910459)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356218
PNG
(CHEMBL1910476)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24N2O7S/c1-16(2)23(24(27)28)25-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)26(29)30/h3-14,16,23,25H,15H2,1-2H3,(H,27,28)/t23-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356222
PNG
(CHEMBL1910648)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173220
PNG
((S)-2-{4'-[(5-Chloro-4-methoxy-3-methyl-benzofuran...)
Show SMILES COc1c(Cl)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C28H27ClN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239506
PNG
(CHEMBL4071526)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r|
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401097
PNG
(CHEMBL2204469)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-8-15(24)4-6-21(19)28(13)12-23(31)32)10-17-5-7-22(30)29(27-17)11-14-2-3-16(25)9-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50006891
PNG
(CHEMBL3236958)
Show SMILES Cc1c(Cc2ccc(=O)n(Cc3cc(F)ccc3F)n2)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C23H18F3N3O3/c1-13-18(19-9-16(25)3-6-21(19)28(13)12-23(31)32)10-17-4-7-22(30)29(27-17)11-14-8-15(24)2-5-20(14)26/h2-9H,10-12H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay


J Med Chem 57: 1299-322 (2014)


Article DOI: 10.1021/jm401509e
BindingDB Entry DOI: 10.7270/Q21V5GGH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM21922
PNG
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2H...)
Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C18H11Cl2FN8/c19-13-4-10(1-2-15(13)21)25-17-9(6-22)7-24-18-12(17)3-11(5-14(18)20)23-8-16-26-28-29-27-16/h1-5,7,23H,8H2,(H,24,25)(H,26,27,28,29)
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n/an/a 2n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati...


J Med Chem 50: 4728-45 (2007)


Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173838
PNG
(4-(4-benzylphenylamino)-6-(2-morpholinoethylamino)...)
Show SMILES N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C28H28N6O/c29-18-23-19-31-26-20-32-27(30-10-11-34-12-14-35-15-13-34)17-25(26)28(23)33-24-8-6-22(7-9-24)16-21-4-2-1-3-5-21/h1-9,17,19-20H,10-16H2,(H,30,32)(H,31,33)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation


Bioorg Med Chem Lett 15: 5288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.029
BindingDB Entry DOI: 10.7270/Q2JS9Q0M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50401108
PNG
(CHEMBL2205148)
Show SMILES Cc1c(-c2nn(CCOc3ccc(Cl)cc3)c(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O |(7.71,-8.01,;6.17,-8.01,;5.26,-6.75,;6.03,-5.43,;7.57,-5.44,;8.35,-4.11,;9.89,-4.11,;10.65,-5.45,;12.19,-5.46,;12.96,-6.8,;12.18,-8.12,;12.94,-9.46,;14.48,-9.46,;15.25,-10.8,;15.26,-8.13,;14.49,-6.79,;7.58,-2.77,;8.36,-1.44,;6.04,-2.76,;5.27,-1.43,;3.73,-1.43,;2.96,-2.77,;3.73,-4.1,;5.27,-4.1,;3.78,-7.23,;2.45,-6.47,;1.12,-7.24,;-.22,-6.47,;1.12,-8.79,;2.45,-9.56,;3.78,-8.79,;5.26,-9.26,;5.73,-10.73,;4.7,-11.87,;3.19,-11.56,;5.18,-13.34,)|
Show InChI InChI=1S/C27H21Cl2N3O4/c1-16-25(22-14-18(29)8-11-23(22)31(16)15-24(33)34)26-20-4-2-3-5-21(20)27(35)32(30-26)12-13-36-19-9-6-17(28)7-10-19/h2-11,14H,12-13,15H2,1H3,(H,33,34)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method


J Med Chem 55: 5088-109 (2012)


Article DOI: 10.1021/jm300007n
BindingDB Entry DOI: 10.7270/Q2S75HH0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356216
PNG
(CHEMBL1910474)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-13-7-19(8-14-22)18-5-11-21(12-6-18)34-15-17-3-9-20(10-4-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
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Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50173218
PNG
((S)-2-{4'-[(5-Iodo-4-methoxy-3-methyl-benzofuran-2...)
Show SMILES COc1c(I)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C28H27IN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50259009
PNG
((R)-3-methyl-2-(4'-((5-oxo-5,6,7,8-tetrahydronapht...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(COc2ccc3C(=O)CCCc3c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C28H29NO6S/c1-18(2)27(28(31)32)29-36(33,34)24-13-10-21(11-14-24)20-8-6-19(7-9-20)17-35-23-12-15-25-22(16-23)4-3-5-26(25)30/h6-16,18,27,29H,3-5,17H2,1-2H3,(H,31,32)/t27-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 2487-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.056
BindingDB Entry DOI: 10.7270/Q29886WB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356221
PNG
(CHEMBL1910647)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(F)c2)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50170298
PNG
((S)-2-{4'-[(4-Methoxy-benzofuran-2-carbonyl)-amino...)
Show SMILES COc1cccc2oc(cc12)C(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C27H26N2O7S/c1-16(2)25(27(31)32)29-37(33,34)20-13-9-18(10-14-20)17-7-11-19(12-8-17)28-26(30)24-15-21-22(35-3)5-4-6-23(21)36-24/h4-16,25,29H,1-3H3,(H,28,30)(H,31,32)/t25-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173223
PNG
((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...)
Show SMILES COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C28H27BrN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50297236
PNG
((S)-2-(4'-(4-ethyl-3-methylbenzofuran-2-carboxamid...)
Show SMILES CCc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 |r|
Show InChI InChI=1S/C29H30N2O6S/c1-5-19-7-6-8-24-25(19)18(4)27(37-24)28(32)30-22-13-9-20(10-14-22)21-11-15-23(16-12-21)38(35,36)31-26(17(2)3)29(33)34/h6-17,26,31H,5H2,1-4H3,(H,30,32)(H,33,34)/t26-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50173223
PNG
((S)-2-(4'-(5-bromo-4-methoxy-3-methylbenzofuran-2-...)
Show SMILES COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12
Show InChI InChI=1S/C28H27BrN2O7S/c1-15(2)24(28(33)34)31-39(35,36)20-11-7-18(8-12-20)17-5-9-19(10-6-17)30-27(32)25-16(3)23-22(38-25)14-13-21(29)26(23)37-4/h5-15,24,31H,1-4H3,(H,30,32)(H,33,34)/t24-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239497
PNG
(CHEMBL4084228)
Show SMILES [H][C@]12[C@H](C)[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r|
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM28485
PNG
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM28485
PNG
((2S)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50356219
PNG
(CHEMBL1910649)
Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r|
Show InChI InChI=1S/C26H27NO7S/c1-17(2)24(25(28)29)27-35(31,32)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-16-18-5-4-6-21(15-18)26(30)33-3/h4-15,17,24,27H,16H2,1-3H3,(H,28,29)/t24-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6800-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM24043
PNG
((2R)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13


Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
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