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Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'jones' and Initial = 'cs'   
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
Cathepsin K


(Homo sapiens (human))
BDBM50408519
PNG
(CHEMBL115357)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (human))
BDBM50408522
PNG
(CHEMBL126820)
Show SMILES CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H38N6O7/c1-4-11-22(29-27(38)40-17-20-12-7-5-8-13-20)24(35)31-33-26(37)34-32-25(36)23(16-19(2)3)30-28(39)41-18-21-14-9-6-10-15-21/h5-10,12-15,19,22-23H,4,11,16-18H2,1-3H3,(H,29,38)(H,30,39)(H,31,35)(H,32,36)(H2,33,34,37)/t22-,23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408520
PNG
(CHEMBL126352)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N6O7/c1-17(2)14-21(28-26(37)39-16-20-12-8-5-9-13-20)23(34)30-32-24(35)31-29-22(33)18(3)27-25(36)38-15-19-10-6-4-7-11-19/h4-13,17-18,21H,14-16H2,1-3H3,(H,27,36)(H,28,37)(H,29,33)(H,30,34)(H2,31,32,35)/t18-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408521
PNG
(CHEMBL129773)
Show SMILES CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N6O7/c1-4-21(28-26(37)39-16-19-11-7-5-8-12-19)23(34)30-32-25(36)33-31-24(35)22(15-18(2)3)29-27(38)40-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H2,32,33,36)/t21-,22-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424575
PNG
(CHEMBL2312159)
Show SMILES Cc1c(Oc2ccc(cc2F)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H29FN8O3/c1-14-22(27-12-28-23(14)36-21-6-5-15(11-20(21)26)32-13-29-30-31-32)33-16-7-18-9-17(33)10-19(8-16)34(18)24(35)37-25(2,3)4/h5-6,11-13,16-19H,7-10H2,1-4H3
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408515
PNG
(CHEMBL338770)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C29H33N5O6/c1-20(2)17-24(30-29(38)40-19-22-13-7-4-8-14-22)27(36)32-34-28(37)33-31-26(35)23-15-9-10-16-25(23)39-18-21-11-5-3-6-12-21/h3-16,20,24H,17-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424576
PNG
(CHEMBL2312158)
Show SMILES Cc1c(Oc2ccc(cc2F)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C25H27FN8O3/c1-14-22(27-12-28-23(14)36-21-4-3-15(11-20(21)26)32-13-29-30-31-32)33-16-7-18-9-17(33)10-19(8-16)34(18)24(35)37-25(2)5-6-25/h3-4,11-13,16-19H,5-10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424564
PNG
(CHEMBL2312506)
Show SMILES CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-6-20-22(27-14-28-23(20)32-21-8-7-9-26-15(21)2)29-16-10-18-12-17(29)13-19(11-16)30(18)24(31)33-25(3,4)5/h7-9,14,16-19H,6,10-13H2,1-5H3
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424577
PNG
(CHEMBL2312157)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)-n2cnnn2)c1C
Show InChI InChI=1S/C24H27FN8O3/c1-13(2)35-24(34)33-18-6-16-7-19(33)9-17(8-18)32(16)22-14(3)23(27-11-26-22)36-21-5-4-15(10-20(21)25)31-12-28-29-30-31/h4-5,10-13,16-19H,6-9H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424579
PNG
(CHEMBL2312156)
Show SMILES Cc1c(Oc2ccc(cc2)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H30N8O3/c1-15-22(26-13-27-23(15)35-21-7-5-16(6-8-21)31-14-28-29-30-31)32-17-9-19-11-18(32)12-20(10-17)33(19)24(34)36-25(2,3)4/h5-8,13-14,17-20H,9-12H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408517
PNG
(CHEMBL340191)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C29H33N5O6/c1-20(2)16-25(30-29(38)40-19-22-12-7-4-8-13-22)27(36)32-34-28(37)33-31-26(35)23-14-9-15-24(17-23)39-18-21-10-5-3-6-11-21/h3-15,17,20,25H,16,18-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t25-/m0/s1
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27n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424573
PNG
(CHEMBL2312161)
Show SMILES Cc1c(Oc2ccc(cc2F)-n2cncn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30FN7O3/c1-15-23(29-13-30-24(15)36-22-6-5-16(11-21(22)27)32-14-28-12-31-32)33-17-7-19-9-18(33)10-20(8-17)34(19)25(35)37-26(2,3)4/h5-6,11-14,17-20H,7-10H2,1-4H3
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424548
PNG
(CHEMBL2312517)
Show SMILES Cc1c(Oc2ccc(cc2F)S(C)(=O)=O)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H31FN4O5S/c1-14-22(27-13-28-23(14)34-21-7-6-19(12-20(21)26)36(5,32)33)29-15-8-17-10-16(29)11-18(9-15)30(17)24(31)35-25(2,3)4/h6-7,12-13,15-18H,8-11H2,1-5H3
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41n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424580
PNG
(CHEMBL2312516)
Show SMILES Cc1c(Oc2ccc(cc2)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C25H28N8O3/c1-15-22(26-13-27-23(15)35-21-5-3-16(4-6-21)31-14-28-29-30-31)32-17-9-19-11-18(32)12-20(10-17)33(19)24(34)36-25(2)7-8-25/h3-6,13-14,17-20H,7-12H2,1-2H3
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48n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50364541
PNG
(CHEMBL1951011)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C21H26FN3O6S/c1-13(2)29-21(26)25-9-7-15(8-10-25)30-19-14(3)20(24-12-23-19)31-18-6-5-16(11-17(18)22)32(4,27)28/h5-6,11-13,15H,7-10H2,1-4H3
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53n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424581
PNG
(CHEMBL2312515)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2)-n2cnnn2)c1C
Show InChI InChI=1S/C24H28N8O3/c1-14(2)34-24(33)32-19-8-17-9-20(32)11-18(10-19)31(17)22-15(3)23(26-12-25-22)35-21-6-4-16(5-7-21)30-13-27-28-29-30/h4-7,12-14,17-20H,8-11H2,1-3H3
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94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408518
PNG
(CHEMBL338150)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H33N5O6/c1-20(2)17-25(30-29(38)40-19-22-11-7-4-8-12-22)27(36)32-34-28(37)33-31-26(35)23-13-15-24(16-14-23)39-18-21-9-5-3-6-10-21/h3-16,20,25H,17-19H2,1-2H3,(H,30,38)(H,31,35)(H,32,36)(H2,33,34,37)/t25-/m0/s1
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100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50408516
PNG
(CHEMBL126835)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C22H27N5O5/c1-15(2)13-18(23-22(31)32-14-16-9-5-3-6-10-16)20(29)25-27-21(30)26-24-19(28)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,23,31)(H,24,28)(H,25,29)(H2,26,27,30)/t18-/m0/s1
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120n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424563
PNG
(CHEMBL2312505)
Show SMILES CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C25H31N5O3/c1-4-20-22(27-14-28-23(20)32-21-6-5-9-26-15(21)2)29-16-10-18-12-17(29)13-19(11-16)30(18)24(31)33-25(3)7-8-25/h5-6,9,14,16-19H,4,7-8,10-13H2,1-3H3
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123n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424578
PNG
(CHEMBL2311545)
Show SMILES Cc1c(Oc2ccc(cc2)-n2cncn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N7O3/c1-16-23(28-14-29-24(16)35-22-7-5-17(6-8-22)31-15-27-13-30-31)32-18-9-20-11-19(32)12-21(10-18)33(20)25(34)36-26(2,3)4/h5-8,13-15,18-21H,9-12H2,1-4H3
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125n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424550
PNG
(CHEMBL2312519)
Show SMILES Cc1c(Oc2ccc(cc2F)S(C)(=O)=O)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C25H29FN4O5S/c1-14-22(27-13-28-23(14)34-21-5-4-19(12-20(21)26)36(3,32)33)29-15-8-17-10-16(29)11-18(9-15)30(17)24(31)35-25(2)6-7-25/h4-5,12-13,15-18H,6-11H2,1-3H3
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131n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424583
PNG
(CHEMBL2312513)
Show SMILES Cc1c(Oc2ccc(cc2F)C#N)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C25H28FN5O3/c1-14-22(28-13-29-23(14)33-21-6-5-15(12-27)7-20(21)26)30-16-8-18-10-17(30)11-19(9-16)31(18)24(32)34-25(2,3)4/h5-7,13,16-19H,8-11H2,1-4H3
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133n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424559
PNG
(CHEMBL2312528)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CCC2)c1C
Show InChI InChI=1S/C25H31N5O3/c1-15-22(27-14-28-23(15)32-21-6-4-9-26-16(21)2)29-17-10-19-12-18(29)13-20(11-17)30(19)24(31)33-25(3)7-5-8-25/h4,6,9,14,17-20H,5,7-8,10-13H2,1-3H3
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136n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424549
PNG
(CHEMBL2312518)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
Show InChI InChI=1S/C24H29FN4O5S/c1-13(2)33-24(30)29-17-7-15-8-18(29)10-16(9-17)28(15)22-14(3)23(27-12-26-22)34-21-6-5-19(11-20(21)25)35(4,31)32/h5-6,11-13,15-18H,7-10H2,1-4H3
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141n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424569
PNG
(CHEMBL2312511)
Show SMILES COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H31N5O4/c1-14-19(7-6-8-25-14)32-22-20(31-5)21(26-13-27-22)28-15-9-17-11-16(28)12-18(10-15)29(17)23(30)33-24(2,3)4/h6-8,13,15-18H,9-12H2,1-5H3
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163n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424562
PNG
(CHEMBL2312504)
Show SMILES CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C
Show InChI InChI=1S/C24H31N5O3/c1-5-20-22(26-13-27-23(20)32-21-7-6-8-25-15(21)4)28-16-9-18-11-17(28)12-19(10-16)29(18)24(30)31-14(2)3/h6-8,13-14,16-19H,5,9-12H2,1-4H3
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197n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424555
PNG
(CHEMBL2312525)
Show SMILES CC(C)COC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C24H31N5O3/c1-14(2)12-31-24(30)29-19-8-17-9-20(29)11-18(10-19)28(17)22-15(3)23(27-13-26-22)32-21-6-5-7-25-16(21)4/h5-7,13-14,17-20H,8-12H2,1-4H3
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231n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424552
PNG
(CHEMBL2312526)
Show SMILES CC[C@@H](C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C24H31N5O3/c1-5-14(2)31-24(30)29-19-9-17-10-20(29)12-18(11-19)28(17)22-15(3)23(27-13-26-22)32-21-7-6-8-25-16(21)4/h6-8,13-14,17-20H,5,9-12H2,1-4H3/t14-,17?,18?,19?,20?/m1/s1
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290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424582
PNG
(CHEMBL2312514)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2)-n2ccnn2)c1C
Show InChI InChI=1S/C25H29N7O3/c1-15(2)34-25(33)32-20-10-18-11-21(32)13-19(12-20)31(18)23-16(3)24(27-14-26-23)35-22-6-4-17(5-7-22)30-9-8-28-29-30/h4-9,14-15,18-21H,10-13H2,1-3H3
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294n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424558
PNG
(CHEMBL2312524)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C24H31N5O3/c1-14-21(26-13-27-22(14)31-20-7-6-8-25-15(20)2)28-16-9-18-11-17(28)12-19(10-16)29(18)23(30)32-24(3,4)5/h6-8,13,16-19H,9-12H2,1-5H3
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486n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424553
PNG
(CHEMBL2312527)
Show SMILES CC[C@H](C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C24H31N5O3/c1-5-14(2)31-24(30)29-19-9-17-10-20(29)12-18(11-19)28(17)22-15(3)23(27-13-26-22)32-21-7-6-8-25-16(21)4/h6-8,13-14,17-20H,5,9-12H2,1-4H3/t14-,17?,18?,19?,20?/m0/s1
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493n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424571
PNG
(CHEMBL2312501)
Show SMILES Cc1ncn(n1)-c1ccc(Oc2ncnc(N3C4CC5CC3CC(C4)N5C(=O)OC(C)(C)C)c2C)c(F)c1
Show InChI InChI=1S/C27H32FN7O3/c1-15-24(34-18-8-20-10-19(34)11-21(9-18)35(20)26(36)38-27(3,4)5)29-13-30-25(15)37-23-7-6-17(12-22(23)28)33-14-31-16(2)32-33/h6-7,12-14,18-21H,8-11H2,1-5H3
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507n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424556
PNG
(CHEMBL2312522)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)c1C
Show InChI InChI=1S/C24H29N5O3/c1-14-21(26-13-27-22(14)31-20-5-4-8-25-15(20)2)28-16-9-18-11-17(28)12-19(10-16)29(18)23(30)32-24(3)6-7-24/h4-5,8,13,16-19H,6-7,9-12H2,1-3H3
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586n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424557
PNG
(CHEMBL2312523)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2CCC2)c1C
Show InChI InChI=1S/C24H29N5O3/c1-14-22(26-13-27-23(14)32-21-7-4-8-25-15(21)2)28-16-9-18-11-17(28)12-19(10-16)29(18)24(30)31-20-5-3-6-20/h4,7-8,13,16-20H,3,5-6,9-12H2,1-2H3
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682n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424566
PNG
(CHEMBL2312508)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)(C)C)c1F
Show InChI InChI=1S/C23H28FN5O3/c1-13-18(6-5-7-25-13)31-21-19(24)20(26-12-27-21)28-14-8-16-10-15(28)11-17(9-14)29(16)22(30)32-23(2,3)4/h5-7,12,14-17H,8-11H2,1-4H3
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814n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424570
PNG
(CHEMBL2312512)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)C#N)c1C
Show InChI InChI=1S/C24H26FN5O3/c1-13(2)32-24(31)30-18-7-16-8-19(30)10-17(9-18)29(16)22-14(3)23(28-12-27-22)33-21-5-4-15(11-26)6-20(21)25/h4-6,12-13,16-19H,7-10H2,1-3H3
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912n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424572
PNG
(CHEMBL2312162)
Show SMILES Cc1ncn(n1)-c1ccc(Oc2ncnc(N3C4CC5CC3CC(C4)N5C(=O)OC(C)(C)C)c2C)cc1
Show InChI InChI=1S/C27H33N7O3/c1-16-24(28-14-29-25(16)36-23-8-6-18(7-9-23)32-15-30-17(2)31-32)33-19-10-21-12-20(33)13-22(11-19)34(21)26(35)37-27(3,4)5/h6-9,14-15,19-22H,10-13H2,1-5H3
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948n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424574
PNG
(CHEMBL2312160)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)C(=O)N(C)C)c1C
Show InChI InChI=1S/C26H32FN5O4/c1-14(2)35-26(34)32-19-9-17-10-20(32)12-18(11-19)31(17)23-15(3)24(29-13-28-23)36-22-7-6-16(8-21(22)27)25(33)30(4)5/h6-8,13-14,17-20H,9-12H2,1-5H3
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1.15E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424567
PNG
(CHEMBL2312509)
Show SMILES COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C
Show InChI InChI=1S/C23H29N5O4/c1-13(2)31-23(29)28-17-8-15-9-18(28)11-16(10-17)27(15)21-20(30-4)22(26-12-25-21)32-19-6-5-7-24-14(19)3/h5-7,12-13,15-18H,8-11H2,1-4H3
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1.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424554
PNG
(CHEMBL2312521)
Show SMILES CCOC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C22H27N5O3/c1-4-29-22(28)27-17-8-15-9-18(27)11-16(10-17)26(15)20-13(2)21(25-12-24-20)30-19-6-5-7-23-14(19)3/h5-7,12,15-18H,4,8-11H2,1-3H3
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1.97E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424551
PNG
(CHEMBL2312520)
Show SMILES CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C23H29N5O3/c1-13(2)30-23(29)28-18-8-16-9-19(28)11-17(10-18)27(16)21-14(3)22(26-12-25-21)31-20-6-5-7-24-15(20)4/h5-7,12-13,16-19H,8-11H2,1-4H3
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2.23E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424568
PNG
(CHEMBL2312510)
Show SMILES COc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C24H29N5O4/c1-14-19(5-4-8-25-14)32-22-20(31-3)21(26-13-27-22)28-15-9-17-11-16(28)12-18(10-15)29(17)23(30)33-24(2)6-7-24/h4-5,8,13,15-18H,6-7,9-12H2,1-3H3
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3.12E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424565
PNG
(CHEMBL2312507)
Show SMILES Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)c1F
Show InChI InChI=1S/C23H26FN5O3/c1-13-18(4-3-7-25-13)31-21-19(24)20(26-12-27-21)28-14-8-16-10-15(28)11-17(9-14)29(16)22(30)32-23(2)5-6-23/h3-4,7,12,14-17H,5-6,8-11H2,1-2H3
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>7.32E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424560
PNG
(CHEMBL2312502)
Show SMILES Cc1ncccc1Oc1cc(ncn1)N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
Show InChI InChI=1S/C23H27N5O3/c1-14-19(4-3-7-24-14)30-21-12-20(25-13-26-21)27-15-8-17-10-16(27)11-18(9-15)28(17)22(29)31-23(2)5-6-23/h3-4,7,12-13,15-18H,5-6,8-11H2,1-2H3
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>8.15E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50424561
PNG
(CHEMBL2312503)
Show SMILES Cc1ncccc1Oc1cc(ncn1)N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H29N5O3/c1-14-19(6-5-7-24-14)30-21-12-20(25-13-26-21)27-15-8-17-10-16(27)11-18(9-15)28(17)22(29)31-23(2,3)4/h5-7,12-13,15-18H,8-11H2,1-4H3
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>8.15E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay


J Med Chem 56: 301-19 (2013)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50224846
PNG
(4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)
Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1
Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50224838
PNG
(1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)
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n/an/a 0.0800n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50224842
PNG
(1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)
Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50224852
PNG
(1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50224847
PNG
(3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)
Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1
Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)

More data for this
Ligand-Target Pair
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