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Compile Data Set for Download or QSAR

Found 1071 hits with Last Name = 'kalgutkar' and Initial = 'as'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 |wU:3.2,(28.02,-3.67,;28.02,-5.21,;29.36,-5.97,;30.69,-5.19,;30.68,-3.66,;32.02,-2.89,;33.36,-3.65,;33.36,-5.2,;32.03,-5.97,;31.15,-4.82,;31.97,-4.02,;26.69,-5.98,;26.7,-7.54,;25.35,-8.31,;24.02,-7.54,;22.56,-8.01,;21.65,-6.76,;22.56,-5.52,;24.03,-6,;25.35,-5.22,)|
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50414549
PNG
(CHEMBL563480)
Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)
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4.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4102791
PNG
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190793
PNG
(CHEMBL268939 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2sccc2cn1 |wU:3.2,(26.77,-30.5,;26.77,-32.04,;28.11,-32.81,;29.44,-32.03,;29.43,-30.5,;30.77,-29.72,;32.11,-30.49,;32.11,-32.03,;30.78,-32.8,;29.9,-31.66,;30.72,-30.86,;25.44,-32.82,;24.1,-32.06,;22.78,-32.83,;21.31,-32.36,;20.4,-33.6,;21.31,-34.85,;22.77,-34.37,;24.1,-35.14,;25.45,-34.37,)|
Show InChI InChI=1S/C15H17N3OS/c19-15(12-7-14-11(8-16-12)3-6-20-14)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4102791
PNG
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190791
PNG
(CHEMBL210865 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccsc2cn1 |wU:3.2,(11.37,-32.25,;11.38,-33.79,;12.72,-34.55,;14.05,-33.78,;14.04,-32.24,;15.38,-31.47,;16.72,-32.24,;16.71,-33.78,;15.39,-34.55,;14.51,-33.4,;15.33,-32.61,;10.05,-34.57,;8.71,-33.8,;7.38,-34.58,;5.92,-34.1,;5.01,-35.35,;5.92,-36.59,;7.38,-36.12,;8.71,-36.89,;10.06,-36.12,)|
Show InChI InChI=1S/C15H17N3OS/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190789
PNG
(CHEMBL208565 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2sccc2c1 |wU:3.2,(11.98,-5.28,;11.99,-6.82,;13.33,-7.58,;14.66,-6.8,;14.65,-5.27,;15.99,-4.5,;17.32,-5.26,;17.32,-6.8,;16,-7.58,;15.12,-6.43,;15.94,-5.63,;10.66,-7.59,;10.66,-9.15,;9.32,-9.92,;7.99,-9.15,;6.52,-9.62,;5.62,-8.37,;6.53,-7.13,;7.99,-7.61,;9.32,-6.83,)|
Show InChI InChI=1S/C16H18N2OS/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
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 |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4103373
PNG
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4084835
PNG
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4084835
PNG
UniProtKB/SwissProt

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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190786
PNG
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4103373
PNG
UniProtKB/SwissProt

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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4077017
PNG
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4077017
PNG
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166587
PNG
(CHEMBL3799530)
Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)(C)O
Show InChI InChI=1S/C22H27FN6O3S/c1-5-29-16-11-13(10-15(23)14(16)12-24-29)17(30)25-20-27-26-18(33-20)22(4)6-8-28(9-7-22)19(31)21(2,3)32/h10-12,32H,5-9H2,1-4H3,(H,25,27,30)
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166584
PNG
(CHEMBL3797819)
Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23FN6O2S/c1-4-27-16-10-13(9-15(21)14(16)11-22-27)17(29)23-19-25-24-18(30-19)20(3)5-7-26(8-6-20)12(2)28/h9-11H,4-8H2,1-3H3,(H,23,25,29)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190783
PNG
(CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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12.5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166580
PNG
(CHEMBL3797824)
Show SMILES CCn1ncc2c(Cl)cc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C15H14ClN5OS/c1-2-21-12-6-9(5-11(16)10(12)7-17-21)13(22)18-15-20-19-14(23-15)8-3-4-8/h5-8H,2-4H2,1H3,(H,18,20,22)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190784
PNG
(CHEMBL378496 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCc2c1 |wU:3.2,(11.67,-14.82,;11.67,-16.36,;13.01,-17.12,;14.34,-16.35,;14.33,-14.81,;15.67,-14.04,;17.01,-14.81,;17.01,-16.35,;15.68,-17.12,;14.8,-15.97,;15.62,-15.18,;10.34,-17.14,;10.35,-18.69,;9,-19.46,;7.67,-18.69,;6.21,-19.16,;5.3,-17.92,;6.21,-16.67,;7.68,-17.15,;9,-16.37,)|
Show InChI InChI=1S/C16H20N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,9,11,14H,3-8,10H2,(H,17,19)/t14-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
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 |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166585
PNG
(CHEMBL3798872)
Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)CO
Show InChI InChI=1S/C20H23FN6O3S/c1-3-27-15-9-12(8-14(21)13(15)10-22-27)17(30)23-19-25-24-18(31-19)20(2)4-6-26(7-5-20)16(29)11-28/h8-10,28H,3-7,11H2,1-2H3,(H,23,25,30)
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166586
PNG
(CHEMBL3799118)
Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)O
Show InChI InChI=1/C21H25FN6O3S/c1-4-28-16-10-13(9-15(22)14(16)11-23-28)17(30)24-20-26-25-19(32-20)21(3)5-7-27(8-6-21)18(31)12(2)29/h9-12,29H,4-8H2,1-3H3,(H,24,26,30)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
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 |TLB:10:9:6.11.12:14,4:6:14:8.9.15,THB:10:11:14:8.9.15,15:9:6:12.13.14,15:13:6:8.10.9,16:15:6.11.12:14|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
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 |TLB:24:23:20:18.17.16,16:17:25:22.21.20,16:21:25:18.24.17,15:16:25.23.22:20,THB:24:17:25.23.22:20,26:25:20:18.17.16|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4064492
PNG
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4064492
PNG
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
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 |TLB:27:26:23:21.20.19,19:20:28:25.24.23,19:24:28:21.27.20,18:19:28.26.25:23,THB:27:20:28.26.25:23,29:28:23:21.20.19|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4070766
PNG
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341309
PNG
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4067701
PNG
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4097577
PNG
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4097577
PNG
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4070766
PNG
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4067701
PNG
UniProtKB/SwissProt

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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4095028
PNG
UniProtKB/SwissProt

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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4089847
PNG
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4088926
PNG
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4073495
PNG
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4095028
PNG
UniProtKB/SwissProt

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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4073495
PNG
UniProtKB/SwissProt

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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
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 |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20|
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)


Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...


J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4089847
PNG
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antibodypedia
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34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
CHEMBL4088926
PNG
UniProtKB/SwissProt

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34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50166581
PNG
(CHEMBL3797387)
Show SMILES CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C15H14FN5OS/c1-2-21-12-6-9(5-11(16)10(12)7-17-21)13(22)18-15-20-19-14(23-15)8-3-4-8/h5-8H,2-4H2,1H3,(H,18,20,22)
PDB

KEGG

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38n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay


Bioorg Med Chem Lett 26: 2670-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.009
BindingDB Entry DOI: 10.7270/Q2CJ8GDR
More data for this
Ligand-Target Pair
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