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Compile Data Set for Download or QSAR

Found 1171 hits with Last Name = 'brodney' and Initial = 'ma'   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398597
PNG
(CHEMBL2179584)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
Show InChI InChI=1S/C21H30N2O3/c1-2-3-12-23-13-10-16(11-14-23)15-24-21-20-18(25-17-6-4-7-17)8-5-9-19(20)26-22-21/h5,8-9,16-17H,2-4,6-7,10-15H2,1H3
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0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398593
PNG
(CHEMBL2179587)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
Show InChI InChI=1S/C21H32N2O3/c1-4-5-11-23-12-9-17(10-13-23)15-25-21-20-18(24-14-16(2)3)7-6-8-19(20)26-22-21/h6-8,16-17H,4-5,9-15H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398596
PNG
(CHEMBL2179589)
Show SMILES CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O5/c1-17(2)14-28-19-4-3-5-20-21(19)22(24-30-20)29-15-18-6-10-25(11-7-18)16-23(26)8-12-27-13-9-23/h3-5,17-18,26H,6-16H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398599
PNG
(CHEMBL2179580)
Show SMILES O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C24H34N2O6/c27-18-4-5-19(14-18)31-20-2-1-3-21-22(20)23(25-32-21)30-15-17-6-10-26(11-7-17)16-24(28)8-12-29-13-9-24/h1-3,17-19,27-28H,4-16H2/t18-,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160878
PNG
(US10093655, Example 48 | US9107923, 48)
Show SMILES Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C18H16IN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)
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0.571n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160878
PNG
(US10093655, Example 48 | US9107923, 48)
Show SMILES Cc1cc(Oc2ncccc2I)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C18H16IN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)
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0.571n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398594
PNG
(CHEMBL2179585)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398595
PNG
(CHEMBL2179586)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-12-24-13-10-18(11-14-24)16-26-22-21-19(25-15-17-6-4-7-17)8-5-9-20(21)27-23-22/h5,8-9,17-18H,2-4,6-7,10-16H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM200951
PNG
(6-[4-(isoquinolin-1-yloxy)-2-methylphenyl]-1,5-dim...)
Show SMILES Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C22H19N3O3/c1-13-12-16(28-21-18-7-5-4-6-15(18)10-11-23-21)8-9-17(13)19-14(2)20(26)24-22(27)25(19)3/h4-12H,1-3H3,(H,24,26,27)
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1.90n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9540352 (2017)


BindingDB Entry DOI: 10.7270/Q2X34VND
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160912
PNG
(US10093655, Example 2 | US9107923, 1 | US9107923, ...)
Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)
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3.11n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160912
PNG
(US10093655, Example 2 | US9107923, 1 | US9107923, ...)
Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C21H21N3O3/c1-12-11-15(27-20-17(14-6-7-14)5-4-10-22-20)8-9-16(12)18-13(2)19(25)23-21(26)24(18)3/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,25,26)
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3.11n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398592
PNG
(CHEMBL2179590)
Show SMILES CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160861
PNG
(US10093655, Example 31 | US9107923, 31)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1Cl
Show InChI InChI=1S/C19H18ClN3O3/c1-10-7-8-21-18(15(10)20)26-13-5-6-14(11(2)9-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
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3.61n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160861
PNG
(US10093655, Example 31 | US9107923, 31)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)c(=O)[nH]c(=O)n2C)c1Cl
Show InChI InChI=1S/C19H18ClN3O3/c1-10-7-8-21-18(15(10)20)26-13-5-6-14(11(2)9-13)16-12(3)17(24)22-19(25)23(16)4/h5-9H,1-4H3,(H,22,24,25)
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3.61n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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3.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160894
PNG
(US10093655, Example 64 | US9107923, 64)
Show SMILES COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O3/c1-10-9-13(5-6-14(10)16-11(2)18(27)26-25-12(16)3)29-19-17(20(21,22)23)15(28-4)7-8-24-19/h5-9H,1-4H3,(H,26,27)
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4.17n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160894
PNG
(US10093655, Example 64 | US9107923, 64)
Show SMILES COc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O3/c1-10-9-13(5-6-14(10)16-11(2)18(27)26-25-12(16)3)29-19-17(20(21,22)23)15(28-4)7-8-24-19/h5-9H,1-4H3,(H,26,27)
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4.17n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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4.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398591
PNG
(CHEMBL2179581)
Show SMILES OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2
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4.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337378
PNG
(5-{4-[(3-Hydroxy-2,3-dihydrofuro[3,2-c]pyridin-4-y...)
Show SMILES Cc1cc(Oc2nccc3OCC(O)c23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C20H19N3O4/c1-10-8-13(27-20-18-15(24)9-26-16(18)6-7-21-20)4-5-14(10)17-11(2)19(25)23-22-12(17)3/h4-8,15,24H,9H2,1-3H3,(H,23,25)
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4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...


US Patent US9745317 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398589
PNG
(CHEMBL2179588)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1
Show InChI InChI=1S/C22H34N2O3/c1-5-6-12-24-13-10-17(11-14-24)15-25-21-20-18(26-16-22(2,3)4)8-7-9-19(20)27-23-21/h7-9,17H,5-6,10-16H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160871
PNG
(US10093655, Example 41 | US9107923, 41)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-10-7-8-21-19(17(10)20)25-14-5-6-15(11(2)9-14)16-12(3)18(24)23-22-13(16)4/h5-9H,1-4H3,(H,23,24)
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5.41n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160871
PNG
(US10093655, Example 41 | US9107923, 41)
Show SMILES Cc1ccnc(Oc2ccc(c(C)c2)-c2c(C)n[nH]c(=O)c2C)c1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-10-7-8-21-19(17(10)20)25-14-5-6-15(11(2)9-14)16-12(3)18(24)23-22-13(16)4/h5-9H,1-4H3,(H,23,24)
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5.41n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM289103
PNG
((−)-6-(4-{[3-(Difluoromethoxy)pyridin-2-yl]o...)
Show SMILES Cc1c(-c2ccc(Oc3ncccc3OC(F)F)cc2)n(C)c(=O)nc1=O
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6.91n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160924
PNG
(US9107923, 13)
Show SMILES Cc1cc(Oc2ncccc2OC(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C19H17F2N3O4/c1-10-9-12(27-17-14(28-18(20)21)5-4-8-22-17)6-7-13(10)15-11(2)16(25)23-19(26)24(15)3/h4-9,18H,1-3H3,(H,23,25,26)
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6.91n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160876
PNG
(US10093655, Example 46 | US9107923, 46)
Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)
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7.66n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160876
PNG
(US10093655, Example 46 | US9107923, 46)
Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)
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7.66n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM200985
PNG
(5-[4-(isoquinolin-1-yloxy)-2-methylphenyl]- 4,6-di...)
Show SMILES Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-12-17(27-22-19-7-5-4-6-16(19)10-11-23-22)8-9-18(13)20-14(2)21(26)25-24-15(20)3/h4-12H,1-3H3,(H,25,26)
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7.80n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9540352 (2017)


BindingDB Entry DOI: 10.7270/Q2X34VND
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50240692
PNG
(CHEMBL4078588)
Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1
Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method


J Med Chem 60: 6649-6663 (2017)

More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM337370
PNG
(5-[4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yloxy...)
Show SMILES Cc1cc(Oc2nccc3NCCc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C20H20N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-5,7,9-10,21H,6,8H2,1-3H3,(H,24,25)
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8.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...


US Patent US9745317 (2017)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160867
PNG
(US10093655, Example 37 | US9107923, 37)
Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)
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US Patent
8.42n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160867
PNG
(US10093655, Example 37 | US9107923, 37)
Show SMILES CC(=C)c1cccnc1Oc1ccc(c(C)c1)-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C21H21N3O3/c1-12(2)16-7-6-10-22-20(16)27-15-8-9-17(13(3)11-15)18-14(4)19(25)23-21(26)24(18)5/h6-11H,1H2,2-5H3,(H,23,25,26)
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US Patent
8.42n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM289097
PNG
((−)-1,5-Dimethyl-6-(2-methyl-4-{[3-(trifluor...)
Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)nc(=O)n1C
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8.54n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160918
PNG
(US9107923, 7 | US9107923, 8)
Show SMILES Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
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US Patent
8.54n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160884
PNG
(US10093655, Example 55 | US9107923, 54 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)
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9.33n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160884
PNG
(US10093655, Example 55 | US9107923, 54 | US9107923...)
Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)
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9.33n/an/an/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...


US Patent US10093655 (2018)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM160873
PNG
(US10093655, Example 43 | US9107923, 43)
Show SMILES Cc1cc(Oc2ncccc2Br)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C18H16BrN3O2/c1-10-9-13(24-18-15(19)5-4-8-20-18)6-7-14(10)16-11(2)17(23)22-21-12(16)3/h4-9H,1-3H3,(H,22,23)
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9.65n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US9107923 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V5T
More data for this
Ligand-Target Pair
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