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Compile Data Set for Download or QSAR

Found 2238 hits with Last Name = 'crawford' and Initial = 't'   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277145
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5/c1-23(2,3)27-22-24-12-10-20(26-22)18-7-6-13-28(16-18)14-11-17-15-25-21-9-5-4-8-19(17)21/h4-5,8-10,12,15,18,25H,6-7,11,13-14,16H2,1-3H3,(H,24,26,27)
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5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277131
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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7.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277180
PNG
(4-(1-(2-(5-chloro-1H-indol-3-yl)ethyl)piperidin-3-...)
Show SMILES Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26ClN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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10.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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11.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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16.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277130
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)
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21.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277147
PNG
(CHEMBL473903 | N-cyclopropyl-4-(1-(2-(5-fluoro-1H-...)
Show SMILES Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26FN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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23.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277181
PNG
(4-(1-(2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl)pip...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C23H28ClN5/c1-15-19(20-13-17(24)4-7-22(20)26-15)9-12-29-11-2-3-16(14-29)21-8-10-25-23(28-21)27-18-5-6-18/h4,7-8,10,13,16,18,26H,2-3,5-6,9,11-12,14H2,1H3,(H,25,27,28)
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26.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277144
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC1(CC1)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H29N5/c1-23(10-11-23)27-22-24-12-8-20(26-22)18-5-4-13-28(16-18)14-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,12,15,18,25H,4-5,9-11,13-14,16H2,1H3,(H,24,26,27)
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32n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277182
PNG
(CHEMBL475694 | N-cyclopropyl-4-(1-(2-(7-fluoro-1H-...)
Show SMILES Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12
Show InChI InChI=1S/C22H26FN5/c23-19-5-1-4-18-15(13-25-21(18)19)9-12-28-11-2-3-16(14-28)20-8-10-24-22(27-20)26-17-6-7-17/h1,4-5,8,10,13,16-17,25H,2-3,6-7,9,11-12,14H2,(H,24,26,27)
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35.1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277184
PNG
(CHEMBL474282 | N-cyclopropyl-4-(1-(2-((S)-2,3-dihy...)
Show SMILES C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C22H28N4O2/c1-2-6-21-20(5-1)27-15-18(28-21)10-13-26-12-3-4-16(14-26)19-9-11-23-22(25-19)24-17-7-8-17/h1-2,5-6,9,11,16-18H,3-4,7-8,10,12-15H2,(H,23,24,25)/t16?,18-/m0/s1
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37.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277210
PNG
(4-(1-(2-(benzo[b]thiophen-3-yl)ethyl)piperidin-3-y...)
Show SMILES C(Cc1csc2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C22H26N4S/c1-2-6-21-19(5-1)17(15-27-21)10-13-26-12-3-4-16(14-26)20-9-11-23-22(25-20)24-18-7-8-18/h1-2,5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2,(H,23,24,25)
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38.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277212
PNG
(4-(1-(1-(1H-indol-3-yl)propan-2-yl)piperidin-3-yl)...)
Show SMILES CC(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C23H29N5/c1-16(13-18-14-25-22-7-3-2-6-20(18)22)28-12-4-5-17(15-28)21-10-11-24-23(27-21)26-19-8-9-19/h2-3,6-7,10-11,14,16-17,19,25H,4-5,8-9,12-13,15H2,1H3,(H,24,26,27)
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40.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277211
PNG
(CHEMBL475090 | N-cyclopropyl-4-(1-(2-(2,3-dihydro-...)
Show SMILES C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26)
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42.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277183
PNG
(CHEMBL514010 | N-cyclopropyl-4-(1-(2-(6-fluoro-1H-...)
Show SMILES Fc1ccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c2c1
Show InChI InChI=1S/C22H26FN5/c23-17-3-6-19-15(13-25-21(19)12-17)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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64.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277252
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-...)
Show SMILES COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c1-28-14-11-24-22-23-10-8-20(26-22)18-5-4-12-27(16-18)13-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,10,15,18,25H,4-5,9,11-14,16H2,1H3,(H,23,24,26)
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66.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277129
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
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75.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277251
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(3-...)
Show SMILES COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5O/c1-29-15-5-11-24-23-25-12-9-21(27-23)19-6-4-13-28(17-19)14-10-18-16-26-22-8-3-2-7-20(18)22/h2-3,7-9,12,16,19,26H,4-6,10-11,13-15,17H2,1H3,(H,24,25,27)
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78.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277250
PNG
(3-(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)pyr...)
Show SMILES OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c28-14-4-10-23-22-24-11-8-20(26-22)18-5-3-12-27(16-18)13-9-17-15-25-21-7-2-1-6-19(17)21/h1-2,6-8,11,15,18,25,28H,3-5,9-10,12-14,16H2,(H,23,24,26)
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175n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277214
PNG
(CHEMBL475092 | N-cyclopropyl-4-(1-(2-(thiazol-4-yl...)
Show SMILES C(Cc1cscn1)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C17H23N5S/c1-2-13(10-22(8-1)9-6-15-11-23-12-19-15)16-5-7-18-17(21-16)20-14-3-4-14/h5,7,11-14H,1-4,6,8-10H2,(H,18,20,21)
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780n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277213
PNG
(2-(3-(2-(cyclopropylamino)pyrimidin-4-yl)piperidin...)
Show SMILES O=C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H25N5O/c28-21(18-12-24-20-6-2-1-5-17(18)20)14-27-11-3-4-15(13-27)19-9-10-23-22(26-19)25-16-7-8-16/h1-2,5-6,9-10,12,15-16,24H,3-4,7-8,11,13-14H2,(H,23,25,26)
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3.42E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277249
PNG
(4-(1-(2-(1H-pyrazol-4-yl)ethyl)piperidin-3-yl)-N-c...)
Show SMILES C(Cc1cn[nH]c1)N1CCCC(C1)c1ccnc(NC2CC2)n1
Show InChI InChI=1S/C17H24N6/c1-2-14(12-23(8-1)9-6-13-10-19-20-11-13)16-5-7-18-17(22-16)21-15-3-4-15/h5,7,10-11,14-15H,1-4,6,8-9,12H2,(H,19,20)(H,18,21,22)
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4.45E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069868
PNG
((2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin...)
Show SMILES COc1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
Show InChI InChI=1S/C20H26N2O2/c1-23-17-10-11-19(24-2)16(13-17)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285009
PNG
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C31H40N4O5/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-30(40)32-22-12-8-11-21(16-22)29(38)39)28(37)35(26(23)15-19)18-27(36)34-31(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H,38,39)(H2,32,33,40)/t24-,25-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069863
PNG
(CHEMBL329007 | N-{4-Methoxy-3-[((2S,3S)-2-phenyl-p...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069870
PNG
((2-Ethoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-ph...)
Show SMILES CCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C21H25F3N2O2/c1-2-27-19-11-10-17(28-21(22,23)24)13-16(19)14-26-18-9-6-12-25-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,25-26H,2,6,9,12,14H2,1H3/t18-,20-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069864
PNG
((5-Chloro-2-methoxy-benzyl)-((2S,3S)-2-phenyl-pipe...)
Show SMILES COc1ccc(Cl)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23ClN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069865
PNG
((2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-...)
Show SMILES CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C22H27F3N2O2/c1-15(2)28-20-11-10-18(29-22(23,24)25)13-17(20)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t19-,21-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067935
PNG
((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)
Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285009
PNG
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C31H40N4O5/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-30(40)32-22-12-8-11-21(16-22)29(38)39)28(37)35(26(23)15-19)18-27(36)34-31(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H,38,39)(H2,32,33,40)/t24-,25-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285019
PNG
(CHEMBL294161 | N-tert-Butyl-2-((3R,5R)-5-cyclohexy...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C31H40N8O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(41)39(26(23)15-19)18-27(40)34-31(2,3)4)33-30(42)32-22-12-8-11-21(16-22)28-35-37-38-36-28/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,40)(H2,32,33,42)(H,35,36,37,38)/t24-,25-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285011
PNG
(CHEMBL294252 | N-tert-Butyl-2-{(3R,5R)-5-cyclohexy...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C32H43N5O6S/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(30(40)37(27(24)16-20)19-28(38)35-32(2,3)4)34-31(41)33-23-13-9-12-22(17-23)29(39)36-44(5,42)43/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,38)(H,36,39)(H2,33,34,41)/t25-,26-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069862
PNG
((2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piper...)
Show SMILES FC(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-17-11-5-4-9-15(17)13-23-16-10-6-12-22-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18-19,22-23H,6,10,12-13H2/t16-,18-/m0/s1
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n/an/a 0.410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069867
PNG
((2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-...)
Show SMILES CC(C)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50037849
PNG
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand


J Med Chem 37: 3789-811 (1994)


Article DOI: 10.1021/jm00048a015
BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50037849
PNG
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand


J Med Chem 37: 3789-811 (1994)


Article DOI: 10.1021/jm00048a015
BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030232
PNG
((S)-((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27?,28-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand


J Med Chem 37: 2831-40 (1994)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50037849
PNG
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cells


Bioorg Med Chem Lett 4: 1153-1156 (1994)


Article DOI: 10.1016/S0960-894X(01)80246-8
BindingDB Entry DOI: 10.7270/Q2VQ32N3
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069860
PNG
((5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phen...)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C
Show InChI InChI=1S/C21H29N3O/c1-24(2)18-11-12-20(25-3)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285014
PNG
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)
Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1
Show InChI InChI=1S/C32H42N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50037869
PNG
(CHEMBL334100 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1
Show InChI InChI=1S/C30H39ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand


J Med Chem 37: 3789-811 (1994)


Article DOI: 10.1021/jm00048a015
BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50158623
PNG
(CHEMBL3785440)
Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ncc(F)cc1F
Show InChI InChI=1S/C22H18F2N4O3S/c1-27-10-16-15-5-12(11-32(2,30)31)3-4-18(15)28(21-17(24)6-14(23)8-26-21)9-13-7-25-20(19(13)16)22(27)29/h3-8,10,25H,9,11H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 bromodomain1 (unknown origin) incubated for 1 hr in presence of Europium Cryptate-labeled streptavidin by TR-FRET...


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285010
PNG
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-met...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)Nc3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C32H35N9O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(44)41(26(23)15-19)18-27(42)36-32(2,3)4)34-31(45)33-22-12-8-11-21(16-22)28(43)35-30-37-39-40-38-30/h5-16,24-25H,17-18H2,1-4H3,(H,36,42)(H2,33,34,45)(H2,35,37,38,39,40,43)/t24-,25-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50069869
PNG
(((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluorometh...)
Show SMILES FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-17-11-5-4-9-15(17)13-24-16-10-6-12-23-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18,23-24H,6,10,12-13H2/t16-,18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells


Bioorg Med Chem Lett 8: 281-4 (1999)


Article DOI: 10.1016/s0960-894x(98)00012-2
BindingDB Entry DOI: 10.7270/Q2Z60PK8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285012
PNG
(CHEMBL301418 | N-tert-Butyl-2-((3R,5R)-8-methyl-2-...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C31H34N8O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(41)39(26(23)15-19)18-27(40)34-31(2,3)4)33-30(42)32-22-12-8-11-21(16-22)28-35-37-38-36-28/h5-16,24-25H,17-18H2,1-4H3,(H,34,40)(H2,32,33,42)(H,35,36,37,38)/t24-,25-/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50285022
PNG
(CHEMBL57642 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-meth...)
Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1
Show InChI InChI=1S/C32H37N5O6S/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(30(40)37(27(24)16-20)19-28(38)35-32(2,3)4)34-31(41)33-23-13-9-12-22(17-23)29(39)36-44(5,42)43/h6-17,25-26H,18-19H2,1-5H3,(H,35,38)(H,36,39)(H2,33,34,41)/t25-,26-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
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