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Compile Data Set for Download or QSAR

Found 1074 hits with Last Name = 'piotrowski' and Initial = 'dw'   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50398065
PNG
(CHEMBL2181925)
Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
Show InChI InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086603
PNG
(CHEMBL3426241)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1 |r|
Show InChI InChI=1/C71H93FN14O19/c1-8-42-30-46(105-7)25-26-47(42)43-23-21-41(22-24-43)29-52(63(98)78-50(60(74)95)20-14-17-40-15-10-9-11-16-40)79-64(99)53(32-57(93)94)80-65(100)54(36-87)81-66(101)58(38(2)88)84-69(104)71(6,33-44-18-12-13-19-48(44)72)86-67(102)59(39(3)89)83-55(90)35-76-62(97)51(27-28-56(91)92)82-68(103)70(4,5)85-61(96)49(73)31-45-34-75-37-77-45/h9-13,15-16,18-19,21-26,30,34,37-39,49-54,58-59,87-89H,8,14,17,20,27-29,31-33,35-36,73H2,1-7H3,(H2,74,95)(H,75,77)(H,76,97)(H,78,98)(H,79,99)(H,80,100)(H,81,101)(H,82,103)(H,83,90)(H,84,104)(H,85,96)(H,86,102)(H,91,92)(H,93,94)/t38-,39-,49+,50+,51+,52+,53+,54+,58+,59+,71+/s2
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0.570n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50301953
PNG
((3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-im...)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2c(F)cccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1 |r|
Show InChI InChI=1S/C76H94F2N14O19/c1-9-44-31-48(111-8)25-26-50(44)46-23-19-43(20-24-46)30-57(68(104)84-56(65(80)101)29-42-17-21-45(22-18-42)49-14-11-10-13-39(49)2)85-69(105)58(33-62(99)100)86-70(106)59(37-93)87-71(107)63(40(3)94)90-74(110)76(7,34-51-52(77)15-12-16-53(51)78)92-72(108)64(41(4)95)89-60(96)36-82-67(103)55(27-28-61(97)98)88-73(109)75(5,6)91-66(102)54(79)32-47-35-81-38-83-47/h10-26,31,35,38,40-41,54-59,63-64,93-95H,9,27-30,32-34,36-37,79H2,1-8H3,(H2,80,101)(H,81,83)(H,82,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,96)(H,90,110)(H,91,102)(H,92,108)(H,97,98)(H,99,100)/t40-,41-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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0.660n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377050
PNG
(CHEMBL403858 | PH-709829)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086602
PNG
(CHEMBL3426300)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 |r|
Show InChI InChI=1/C69H88FIN14O20/c1-8-38-26-42(105-7)18-19-43(38)39-16-13-36(14-17-39)24-49(61(98)77-48(58(73)95)25-37-15-21-52(89)45(71)23-37)78-62(99)50(28-55(93)94)79-63(100)51(32-86)80-64(101)56(34(2)87)83-67(104)69(6,29-40-11-9-10-12-44(40)70)85-65(102)57(35(3)88)82-53(90)31-75-60(97)47(20-22-54(91)92)81-66(103)68(4,5)84-59(96)46(72)27-41-30-74-33-76-41/h9-19,21,23,26,30,33-35,46-51,56-57,86-89H,8,20,22,24-25,27-29,31-32,72H2,1-7H3,(H2,73,95)(H,74,76)(H,75,97)(H,77,98)(H,78,99)(H,79,100)(H,80,101)(H,81,103)(H,82,90)(H,83,104)(H,84,96)(H,85,102)(H,91,92)(H,93,94)/t34-,35-,46+,47+,48+,49+,50+,51+,56+,57+,69+/s2
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6n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377049
PNG
(CHEMBL258031)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50398061
PNG
(CHEMBL2181928)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 1086-1097 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
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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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in human IMR32 cells


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377048
PNG
(CHEMBL403857)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sccc2cn1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H17N3OS/c19-15(13-6-14-11(7-16-13)2-4-20-14)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
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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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50377050
PNG
(CHEMBL403858 | PH-709829)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in human IMR32 cells


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50264278
PNG
(CHEMBL4064803)
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<13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
UniProtKB/SwissProt

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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377047
PNG
(CHEMBL404299)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H18N4O/c20-15(14-7-13-2-1-4-19(13)10-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086588
PNG
(CHEMBL3426243)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C74H98FN15O17/c1-7-45-35-49(107-6)27-28-50(45)46-25-23-44(24-26-46)34-57(67(101)83-53(63(77)97)22-15-18-43-16-9-8-10-17-43)85-66(100)56-29-31-59(93)79-33-14-13-21-54(69(103)90-74(5,37-47-19-11-12-20-51(47)75)72(106)88-62(42(2)92)70(104)86-58(40-91)68(102)84-56)82-60(94)39-80-65(99)55(30-32-61(95)96)87-71(105)73(3,4)89-64(98)52(76)36-48-38-78-41-81-48/h8-12,16-17,19-20,23-28,35,38,41-42,52-58,62,91-92H,7,13-15,18,21-22,29-34,36-37,39-40,76H2,1-6H3,(H2,77,97)(H,78,81)(H,79,93)(H,80,99)(H,82,94)(H,83,101)(H,84,102)(H,85,100)(H,86,104)(H,87,105)(H,88,106)(H,89,98)(H,90,103)(H,95,96)/t42-,52+,53+,54+,55+,56+,57+,58+,62+,74+/s2
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17n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264280
PNG
(CHEMBL4084050)
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377051
PNG
(CHEMBL256578)
Show SMILES Clc1ccc(cc1)C(=O)N[C@@H]1C[C@H]2CCN(C2)C1 |TLB:9:10:16:14.13|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-7-10-5-6-17(8-10)9-13/h1-4,10,13H,5-9H2,(H,16,18)/t10-,13-/m1/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377053
PNG
(CHEMBL258239)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H17N3OS/c19-15(11-1-2-13-14(6-11)20-9-16-13)17-12-5-10-3-4-18(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,17,19)/t10-,12-/m1/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
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 Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50377052
PNG
(CHEMBL257145)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2OCCOc2c1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-7-11-3-4-18(9-11)10-13)12-1-2-14-15(8-12)21-6-5-20-14/h1-2,8,11,13H,3-7,9-10H2,(H,17,19)/t11-,13-/m1/s1
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086599
PNG
(CHEMBL3426297)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H]2CCSSCC[C@@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N2)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1 |r|
Show InChI InChI=1/C71H91FN14O18S2/c1-5-42-31-46(104-4)22-23-47(42)43-20-18-41(19-21-43)30-54(65(98)79-50(61(74)94)17-11-14-40-12-7-6-8-13-40)82-66(99)55(33-59(92)93)83-67(100)56(37-87)84-69(102)60(39(2)88)85-70(103)71(3,34-44-15-9-10-16-48(44)72)86-68(101)53-27-29-106-105-28-26-52(80-62(95)49(73)32-45-35-75-38-77-45)64(97)81-51(24-25-58(90)91)63(96)76-36-57(89)78-53/h6-10,12-13,15-16,18-23,31,35,38-39,49-56,60,87-88H,5,11,14,17,24-30,32-34,36-37,73H2,1-4H3,(H2,74,94)(H,75,77)(H,76,96)(H,78,89)(H,79,98)(H,80,95)(H,81,97)(H,82,99)(H,83,100)(H,84,102)(H,85,103)(H,86,101)(H,90,91)(H,92,93)/t39-,49+,50+,51+,52-,53-,54+,55+,56+,60+,71+/s2
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41n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
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42n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

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47n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
UniProtKB/SwissProt

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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264279
PNG
(CHEMBL4072602)
UniProtKB/SwissProt

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51n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
UniProtKB/SwissProt

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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086587
PNG
(CHEMBL3426242)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C73H96FN15O17/c1-7-44-33-48(106-6)27-28-49(44)45-25-23-43(24-26-45)32-55(65(99)82-52(62(76)96)22-15-18-42-16-9-8-10-17-42)83-66(100)56-35-58(92)78-31-14-13-21-53(68(102)89-73(5,36-46-19-11-12-20-50(46)74)71(105)87-61(41(2)91)69(103)85-57(39-90)67(101)84-56)81-59(93)38-79-64(98)54(29-30-60(94)95)86-70(104)72(3,4)88-63(97)51(75)34-47-37-77-40-80-47/h8-12,16-17,19-20,23-28,33,37,40-41,51-57,61,90-91H,7,13-15,18,21-22,29-32,34-36,38-39,75H2,1-6H3,(H2,76,96)(H,77,80)(H,78,92)(H,79,98)(H,81,93)(H,82,99)(H,83,100)(H,84,101)(H,85,103)(H,86,104)(H,87,105)(H,88,97)(H,89,102)(H,94,95)/t41-,51+,52+,53+,54+,55+,56+,57+,61+,73+/s2
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59n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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113n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086598
PNG
(CHEMBL3426296)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H]2CCSSCC[C@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N2)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1 |r|
Show InChI InChI=1/C71H91FN14O18S2/c1-5-42-31-46(104-4)22-23-47(42)43-20-18-41(19-21-43)30-54(65(98)79-50(61(74)94)17-11-14-40-12-7-6-8-13-40)82-66(99)55(33-59(92)93)83-67(100)56(37-87)84-69(102)60(39(2)88)85-70(103)71(3,34-44-15-9-10-16-48(44)72)86-68(101)53-27-29-106-105-28-26-52(80-62(95)49(73)32-45-35-75-38-77-45)64(97)81-51(24-25-58(90)91)63(96)76-36-57(89)78-53/h6-10,12-13,15-16,18-23,31,35,38-39,49-56,60,87-88H,5,11,14,17,24-30,32-34,36-37,73H2,1-4H3,(H2,74,94)(H,75,77)(H,76,96)(H,78,89)(H,79,98)(H,80,95)(H,81,97)(H,82,99)(H,83,100)(H,84,102)(H,85,103)(H,86,101)(H,90,91)(H,92,93)/t39-,49+,50+,51+,52+,53-,54+,55+,56+,60+,71+/s2
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130n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086589
PNG
(CHEMBL3426244)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCCCNC(=O)CCC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C75H100FN15O17/c1-7-46-36-50(108-6)30-31-51(46)47-28-26-45(27-29-47)35-58(68(102)84-54(64(78)98)23-15-19-44-17-9-8-10-18-44)86-67(101)55-24-16-25-60(94)80-34-14-13-22-56(70(104)91-75(5,38-48-20-11-12-21-52(48)76)73(107)89-63(43(2)93)71(105)87-59(41-92)69(103)85-55)83-61(95)40-81-66(100)57(32-33-62(96)97)88-72(106)74(3,4)90-65(99)53(77)37-49-39-79-42-82-49/h8-12,17-18,20-21,26-31,36,39,42-43,53-59,63,92-93H,7,13-16,19,22-25,32-35,37-38,40-41,77H2,1-6H3,(H2,78,98)(H,79,82)(H,80,94)(H,81,100)(H,83,95)(H,84,102)(H,85,103)(H,86,101)(H,87,105)(H,88,106)(H,89,107)(H,90,99)(H,91,104)(H,96,97)/t43-,53+,54+,55+,56+,57+,58+,59+,63+,75+/s2
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300n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086591
PNG
(CHEMBL3426246)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C74H98FN15O17/c1-7-45-35-49(107-6)27-28-50(45)46-25-23-44(24-26-46)34-57(67(101)83-53(63(77)97)22-15-18-43-16-9-8-10-17-43)85-66(100)54-21-13-14-33-79-59(93)31-29-56(69(103)90-74(5,37-47-19-11-12-20-51(47)75)72(106)88-62(42(2)92)70(104)86-58(40-91)68(102)84-54)82-60(94)39-80-65(99)55(30-32-61(95)96)87-71(105)73(3,4)89-64(98)52(76)36-48-38-78-41-81-48/h8-12,16-17,19-20,23-28,35,38,41-42,52-58,62,91-92H,7,13-15,18,21-22,29-34,36-37,39-40,76H2,1-6H3,(H2,77,97)(H,78,81)(H,79,93)(H,80,99)(H,82,94)(H,83,101)(H,84,102)(H,85,100)(H,86,104)(H,87,105)(H,88,106)(H,89,98)(H,90,103)(H,95,96)/t42-,52+,53+,54+,55+,56+,57+,58+,62+,74+/s2
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320n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50377050
PNG
(CHEMBL403858 | PH-709829)
Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6|
Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1
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350n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT3 receptor


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50398065
PNG
(CHEMBL2181925)
Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
Show InChI InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m0/s1
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478n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human progesterone receptor overexpressed in HEK293 cells by microbeta counting assay


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
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501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086595
PNG
(CHEMBL3426293)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H]2CCSSC[C@@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N2)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1 |r|
Show InChI InChI=1/C70H89FN14O18S2/c1-5-41-29-45(103-4)22-23-46(41)42-20-18-40(19-21-42)28-52(63(96)78-49(60(73)93)17-11-14-39-12-7-6-8-13-39)80-64(97)53(31-58(91)92)81-65(98)54(35-86)82-68(101)59(38(2)87)84-69(102)70(3,32-43-15-9-10-16-47(43)71)85-67(100)51-26-27-104-105-36-55(83-61(94)48(72)30-44-33-74-37-76-44)66(99)79-50(24-25-57(89)90)62(95)75-34-56(88)77-51/h6-10,12-13,15-16,18-23,29,33,37-38,48-55,59,86-87H,5,11,14,17,24-28,30-32,34-36,72H2,1-4H3,(H2,73,93)(H,74,76)(H,75,95)(H,77,88)(H,78,96)(H,79,99)(H,80,97)(H,81,98)(H,82,101)(H,83,94)(H,84,102)(H,85,100)(H,89,90)(H,91,92)/t38-,48+,49+,50+,51-,52+,53+,54+,55-,59+,70+/s2
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550n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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630n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT3 receptor


Bioorg Med Chem Lett 18: 3611-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50398065
PNG
(CHEMBL2181925)
Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
Show InChI InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m0/s1
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669n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50264275
PNG
(CHEMBL4095095)
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730n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
More data for this
Ligand-Target Pair
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