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Compile Data Set for Download or QSAR

Found 401 hits with Last Name = 'ammirati' and Initial = 'm'   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123058
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidin-1-ylsulf...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H18Cl2N4O6S/c21-14-8-12(26-20(29)24-18(28)11-23-26)9-15(22)19(14)32-13-4-5-16(27)17(10-13)33(30,31)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2,(H,24,28,29)
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123046
PNG
(2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)
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0.0300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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0.0400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123044
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4|
Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)
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0.0600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123045
PNG
(CHEMBL413699 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)
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0.0700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123054
PNG
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H14Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h1-11,26,28H,(H,25,29,30)
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123064
PNG
(2-(3-chloro-4-(4-hydroxy-3-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C21H21ClN4O6S/c1-13-9-14(26-21(29)24-19(28)12-23-26)10-16(22)20(13)32-15-5-6-17(27)18(11-15)33(30,31)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3,(H,24,28,29)
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0.130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123063
PNG
(2-{3,5-Dichloro-4-[4-hydroxy-3-(indole-1-sulfonyl)...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C23H14Cl2N4O6S/c24-16-9-14(29-23(32)27-21(31)12-26-29)10-17(25)22(16)35-15-5-6-19(30)20(11-15)36(33,34)28-8-7-13-3-1-2-4-18(13)28/h1-12,30H,(H,27,31,32)
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0.230n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123052
PNG
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxol...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(CCCO1)C2 |TLB:34:33:27:29.30,THB:24:27:33.38.32:29.30,37:33:27:29.30|
Show InChI InChI=1S/C25H24Cl2N4O7S/c26-18-8-16(30-24(34)29-22(33)13-28-30)9-19(27)23(18)38-17-4-5-20(32)21(10-17)39(35,36)31-14-2-3-15(31)12-25(11-14)6-1-7-37-25/h4-5,8-10,13-15,32H,1-3,6-7,11-12H2,(H,29,33,34)
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0.280n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL




Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123061
PNG
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1 |THB:24:27:33.32.34:29.30|
Show InChI InChI=1S/C24H22Cl2N4O8S/c25-17-7-15(29-23(33)28-21(32)12-27-29)8-18(26)22(17)38-16-3-4-19(31)20(9-16)39(34,35)30-13-1-2-14(30)11-24(10-13)36-5-6-37-24/h3-4,7-9,12-14,31H,1-2,5-6,10-11H2,(H,28,32,33)
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0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123057
PNG
(CHEMBL124039 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCC1
Show InChI InChI=1S/C19H16Cl2N4O6S/c20-13-6-11(25-19(28)23-17(27)9-22-25)7-14(21)18(13)31-12-4-5-15(26)16(8-12)32(29,30)24-10-2-1-3-10/h4-10,24,26H,1-3H2,(H,23,27,28)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123062
PNG
(CHEMBL340158 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h6-12,26,28H,1-5H2,(H,25,29,30)
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123056
PNG
(2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N4O6S/c1-14-10-16(26-22(29)24-20(28)13-23-26)11-15(2)21(14)32-17-6-7-18(27)19(12-17)33(30,31)25-8-4-3-5-9-25/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,24,28,29)
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123059
PNG
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2
Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)
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0.590n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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0.630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123050
PNG
(CHEMBL124318 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCC1
Show InChI InChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30)
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0.640n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123055
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(morpholine-4-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCOCC1
Show InChI InChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30)
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0.720n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123060
PNG
(2-{3-Chloro-4-[4-hydroxy-3-(piperidine-1-carbonyl)...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)C(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C22H21ClN4O5/c1-13-9-14(27-22(31)25-19(29)12-24-27)10-17(23)20(13)32-15-5-6-18(28)16(11-15)21(30)26-7-3-2-4-8-26/h5-6,9-12,28H,2-4,7-8H2,1H3,(H,25,29,31)
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123053
PNG
(2-[3,5-Dimethyl-4-(3-methyl-4-methylsulfanyl-pheno...)
Show SMILES CSc1ccc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)cc1C
Show InChI InChI=1S/C19H19N3O3S/c1-11-9-15(5-6-16(11)26-4)25-18-12(2)7-14(8-13(18)3)22-19(24)21-17(23)10-20-22/h5-10H,1-4H3,(H,21,23,24)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123047
PNG
(2-{3-Chloro-4-[4-hydroxy-3-(4-methyl-piperazine-1-...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(Oc2c(C)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O
Show InChI InChI=1S/C21H22ClN5O6S/c1-13-9-14(27-21(30)24-19(29)12-23-27)10-16(22)20(13)33-15-3-4-17(28)18(11-15)34(31,32)26-7-5-25(2)6-8-26/h3-4,9-12,28H,5-8H2,1-2H3,(H,24,29,30)
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123048
PNG
(2-(3-chloro-4-(4-hydroxy-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCOCC1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C20H19ClN4O7S/c1-12-8-13(25-20(28)23-18(27)11-22-25)9-15(21)19(12)32-14-2-3-16(26)17(10-14)33(29,30)24-4-6-31-7-5-24/h2-3,8-11,26H,4-7H2,1H3,(H,23,27,28)
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123051
PNG
(1-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(cc2C)N2CCCNC2=O)ccc1O
Show InChI InChI=1S/C21H26N2O3/c1-13(2)18-12-17(6-7-19(18)24)26-20-14(3)10-16(11-15(20)4)23-9-5-8-22-21(23)25/h6-7,10-13,24H,5,8-9H2,1-4H3,(H,22,25)
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1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor


Bioorg Med Chem Lett 13: 379-82 (2003)


BindingDB Entry DOI: 10.7270/Q26T0KZB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50285792
PNG
(4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-(...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H52N4O6S/c1-22(2)18-29(39)30(40)26(19-23-10-6-4-7-11-23)34-32(42)28(21-44-3)35-31(41)27(20-24-12-8-5-9-13-24)36-33(43)37-16-14-25(38)15-17-37/h5,8-9,12-13,22-23,26-30,39-40H,4,6-7,10-11,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)/t26-,27-,28-,29-,30+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against recombinant human renin (rHR)


Bioorg Med Chem Lett 5: 2623-2626 (1995)


Article DOI: 10.1016/0960-894X(95)00456-4
BindingDB Entry DOI: 10.7270/Q2C24WDC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226096
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(C)c1C#N |w:13.13|
Show InChI InChI=1S/C21H26N4O/c1-13-6-15(7-14(2)18(13)9-23)10-25-11-19(20(24)12-25)21(26)17-5-3-4-16(17)8-22/h6-7,16-17,19-20H,3-5,10-12,24H2,1-2H3/t16-,17?,19+,20-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226064
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)ccc1C#N |w:13.13|
Show InChI InChI=1S/C20H24N4O/c1-13-7-14(5-6-15(13)8-21)10-24-11-18(19(23)12-24)20(25)17-4-2-3-16(17)9-22/h5-7,16-19H,2-4,10-12,23H2,1H3/t16-,17?,18+,19-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226086
PNG
((S)-1-((3R,4R)-1-(4-cyanobenzyl)-3-aminopyrrolidin...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H21N5O/c19-8-13-3-5-14(6-4-13)10-22-11-16(17(21)12-22)18(24)23-7-1-2-15(23)9-20/h3-6,15-17H,1-2,7,10-12,21H2/t15-,16+,17-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226077
PNG
((3S,4S)-4-amino-3-(pyrrolidine-1-carbonyl)-1-(quin...)
Show SMILES N[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H19N5O3/c19-11-10-23(18(26)15(11)17(25)22-7-3-4-8-22)16(24)14-9-20-12-5-1-2-6-13(12)21-14/h1-2,5-6,9,11,15H,3-4,7-8,10,19H2/t11-,15+/m1/s1
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n/an/a>3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226093
PNG
((1R)-2-((3R,4R)-1-(1-(4-(1H-1,2,4-triazol-1-yl)phe...)
Show SMILES CC(N1C[C@H](N)[C@@H](C1)C(=O)C1CCC[C@H]1C#N)c1ccc(cc1)-n1cncn1 |w:10.10,1.0|
Show InChI InChI=1S/C21H26N6O/c1-14(15-5-7-17(8-6-15)27-13-24-12-25-27)26-10-19(20(23)11-26)21(28)18-4-2-3-16(18)9-22/h5-8,12-14,16,18-20H,2-4,10-11,23H2,1H3/t14?,16-,18?,19+,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226065
PNG
((S)-1-((3R,4R)-1-(4-(1H-1,2,4-triazol-1-yl)benzyl)...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-n2cncn2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H23N7O/c20-8-16-2-1-7-25(16)19(27)17-10-24(11-18(17)21)9-14-3-5-15(6-4-14)26-13-22-12-23-26/h3-6,12-13,16-18H,1-2,7,9-11,21H2/t16-,17+,18-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226067
PNG
((S)-1-((3R,4R)-1-(4-(1-methyl-1H-pyrazol-5-yl)benz...)
Show SMILES Cn1nccc1-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C21H26N6O/c1-25-20(8-9-24-25)16-6-4-15(5-7-16)12-26-13-18(19(23)14-26)21(28)27-10-2-3-17(27)11-22/h4-9,17-19H,2-3,10,12-14,23H2,1H3/t17-,18+,19-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226078
PNG
(1-((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecarb...)
Show SMILES N[C@H]1CN(C[C@H]1C(=O)C1CCC[C@H]1C#N)C1CCc2cc(ccc12)C#N |w:8.8,15.16|
Show InChI InChI=1S/C21H24N4O/c22-9-13-4-6-16-14(8-13)5-7-20(16)25-11-18(19(24)12-25)21(26)17-3-1-2-15(17)10-23/h4,6,8,15,17-20H,1-3,5,7,11-12,24H2/t15-,17?,18+,19-,20?/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226074
PNG
((1R)-2-((3R,4R)-3-amino-1-(chroman-4-yl)pyrrolidin...)
Show SMILES N[C@H]1CN(C[C@H]1C(=O)C1CCC[C@H]1C#N)C1CCOc2ccccc12 |w:8.8,15.16|
Show InChI InChI=1S/C20H25N3O2/c21-10-13-4-3-6-14(13)20(24)16-11-23(12-17(16)22)18-8-9-25-19-7-2-1-5-15(18)19/h1-2,5,7,13-14,16-18H,3-4,6,8-9,11-12,22H2/t13-,14?,16+,17-,18?/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226084
PNG
((S)-1-((3R,4R)-1-(3-cyano-4-fluorobenzyl)-3-aminop...)
Show SMILES N[C@H]1CN(Cc2ccc(F)c(c2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H20FN5O/c19-16-4-3-12(6-13(16)7-20)9-23-10-15(17(22)11-23)18(25)24-5-1-2-14(24)8-21/h3-4,6,14-15,17H,1-2,5,9-11,22H2/t14-,15+,17-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50134771
PNG
(CHEMBL3754515)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)


BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226076
PNG
((1R)-2-((3R,4R)-1-(2-methyl-4-(1H-1,2,4-triazol-1-...)
Show SMILES Cc1cc(ccc1CN1C[C@H](N)[C@@H](C1)C(=O)C1CCC[C@H]1C#N)-n1cncn1 |w:16.17|
Show InChI InChI=1S/C21H26N6O/c1-14-7-17(27-13-24-12-25-27)6-5-16(14)9-26-10-19(20(23)11-26)21(28)18-4-2-3-15(18)8-22/h5-7,12-13,15,18-20H,2-4,9-11,23H2,1H3/t15-,18?,19+,20-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226102
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES CCc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(CC)c1C#N |w:14.14|
Show InChI InChI=1S/C23H30N4O/c1-3-16-8-15(9-17(4-2)20(16)11-25)12-27-13-21(22(26)14-27)23(28)19-7-5-6-18(19)10-24/h8-9,18-19,21-22H,3-7,12-14,26H2,1-2H3/t18-,19?,21+,22-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249516
PNG
(CHEMBL514011 | cis-2-(4-((3S,5S)-5-(3,3-difluoropy...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N |r|
Show InChI InChI=1S/C19H24F2N6O/c20-19(21)3-5-27(13-19)18(28)16-10-15(12-24-16)25-6-8-26(9-7-25)17-14(11-22)2-1-4-23-17/h1-2,4,15-16,24H,3,5-10,12-13H2/t15-,16-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM15494
PNG
(3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)/t14-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


Bioorg Med Chem Lett 17: 5638-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249548
PNG
(CHEMBL475586 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cccnc2o1 |r|
Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)3-5-27(12-19)17(28)15-10-13(11-23-15)25-6-8-26(9-7-25)18-24-14-2-1-4-22-16(14)29-18/h1-2,4,13,15,23H,3,5-12H2/t13-,15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249515
PNG
(CHEMBL474410 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226092
PNG
((1R,3S)-2-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-...)
Show SMILES Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)C2[C@@H](F)CC[C@H]2C#N)cc1 |w:19.20|
Show InChI InChI=1S/C21H24FN5O2/c1-12-25-26-21(29-12)14-4-2-13(3-5-14)9-27-10-16(18(24)11-27)20(28)19-15(8-23)6-7-17(19)22/h2-5,15-19H,6-7,9-11,24H2,1H3/t15-,16+,17-,18-,19?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226066
PNG
((S)-1-((3R,4R)-1-(4-(3-methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H25N7O/c1-14-23-13-27(24-14)16-6-4-15(5-7-16)10-25-11-18(19(22)12-25)20(28)26-8-2-3-17(26)9-21/h4-7,13,17-19H,2-3,8,10-12,22H2,1H3/t17-,18+,19-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226075
PNG
((S)-1-((3R,4R)-1-(4-(2H-1,2,3-triazol-2-yl)benzyl)...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-n2nccn2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H23N7O/c20-10-16-2-1-9-25(16)19(27)17-12-24(13-18(17)21)11-14-3-5-15(6-4-14)26-22-7-8-23-26/h3-8,16-18H,1-2,9,11-13,21H2/t16-,17+,18-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226088
PNG
((S)-1-((3R,4R)-3-amino-1-(1-(4-cyanophenyl)ethyl)p...)
Show SMILES CC(N1C[C@H](N)[C@@H](C1)C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)C#N |w:1.0|
Show InChI InChI=1S/C19H23N5O/c1-13(15-6-4-14(9-20)5-7-15)23-11-17(18(22)12-23)19(25)24-8-2-3-16(24)10-21/h4-7,13,16-18H,2-3,8,11-12,22H2,1H3/t13?,16-,17+,18-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249514
PNG
(CHEMBL474409 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1cnccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)1-4-25(12-17)16(26)14-9-13(10-22-14)23-5-7-24(8-6-23)15-11-20-2-3-21-15/h2-3,11,13-14,22H,1,4-10,12H2/t13-,14-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249513
PNG
(CHEMBL475574 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cnccc2o1 |r|
Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)2-4-27(12-19)17(28)14-9-13(10-23-14)25-5-7-26(8-6-25)18-24-15-11-22-3-1-16(15)29-18/h1,3,11,13-14,23H,2,4-10,12H2/t13-,14-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM39807
PNG
(CP-526,423)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32)
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n/an/a 6n/an/an/an/a7.222



Pfizer Inc



Assay Description
Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phos...


Chem Biol 7: 677-82 (2000)


BindingDB Entry DOI: 10.7270/Q2H41PT2
More data for this
Ligand-Target Pair
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