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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'lommen' and Initial = 'gv'   
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251714
PNG
(2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-met...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1C
Show InChI InChI=1/C28H34N2O2/c1-6-19-10-8-11-20(7-2)27(19)25-17-26(32-5)28-22(12-9-13-23(28)30-25)29-24-16-21(31-4)15-14-18(24)3/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251407
PNG
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO
Show InChI InChI=1/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
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21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
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680n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403517
PNG
(CHEMBL89878)
Show SMILES CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
Show InChI InChI=1/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)
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n/an/a 0.316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403509
PNG
(CHEMBL89007)
Show SMILES Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
Show InChI InChI=1/C17H21ClN4O/c18-16-8-9-17(22-21-16)20-11-3-10-19-12-14-7-6-13-4-1-2-5-15(13)23-14/h1-2,4-5,8-9,14,19H,3,6-7,10-12H2,(H,20,22)
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n/an/a 0.398n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403522
PNG
(CHEMBL88283)
Show SMILES COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12
Show InChI InChI=1/C18H28N4O2/c1-23-16-6-2-5-14-7-8-15(24-17(14)16)13-19-9-3-10-20-18-21-11-4-12-22-18/h2,5-6,15,19H,3-4,7-13H2,1H3,(H2,20,21,22)
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n/an/a 0.794n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403508
PNG
(CHEMBL88207)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ccccn1
Show InChI InChI=1/C18H23N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-4,6-8,12,16,19H,5,9-11,13-14H2,(H,20,21)
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403515
PNG
(CHEMBL89427)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1nccs1
Show InChI InChI=1/C16H21N3OS/c1-2-5-15-13(4-1)6-7-14(20-15)12-17-8-3-9-18-16-19-10-11-21-16/h1-2,4-5,10-11,14,17H,3,6-9,12H2,(H,18,19)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403499
PNG
(CHEMBL422243)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ncccn1
Show InChI InChI=1/C17H22N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,4-6,11-12,15,18H,3,7-10,13H2,(H,19,20,21)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403509
PNG
(CHEMBL89007)
Show SMILES Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
Show InChI InChI=1/C17H21ClN4O/c18-16-8-9-17(22-21-16)20-11-3-10-19-12-14-7-6-13-4-1-2-5-15(13)23-14/h1-2,4-5,8-9,14,19H,3,6-7,10-12H2,(H,20,22)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403505
PNG
(CHEMBL90981)
Show SMILES O=C1CCCN=C(NCCCNCC2CCc3ccccc3O2)N1
Show InChI InChI=1/C18H26N4O2/c23-17-7-3-11-20-18(22-17)21-12-4-10-19-13-15-9-8-14-5-1-2-6-16(14)24-15/h1-2,5-6,15,19H,3-4,7-13H2,(H2,20,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403499
PNG
(CHEMBL422243)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ncccn1
Show InChI InChI=1/C17H22N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,4-6,11-12,15,18H,3,7-10,13H2,(H,19,20,21)
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TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403503
PNG
(ALNIDITAN)
Show SMILES C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50403491
PNG
(CHEMBL88212)
Show SMILES C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403506
PNG
(CHEMBL91596)
Show SMILES COc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
Show InChI InChI=1/C18H28N4O2/c1-23-15-6-4-14-5-7-16(24-17(14)12-15)13-19-8-2-9-20-18-21-10-3-11-22-18/h4,6,12,16,19H,2-3,5,7-11,13H2,1H3,(H2,20,21,22)
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403520
PNG
(CHEMBL90443)
Show SMILES CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
Show InChI InChI=1/C17H29N5O/c1-13(2)21-17(18)22-20-11-5-10-19-12-15-9-8-14-6-3-4-7-16(14)23-15/h3-4,6-7,13,15,19-20H,5,8-12H2,1-2H3,(H3,18,21,22)
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403517
PNG
(CHEMBL89878)
Show SMILES CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
Show InChI InChI=1/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403500
PNG
(CHEMBL88152)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1cnccn1
Show InChI InChI=1/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-8-3-9-20-17-13-19-10-11-21-17/h1-2,4-5,10-11,13,15,18H,3,6-9,12H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403494
PNG
(CHEMBL91123)
Show SMILES C(CNCC1CCc2ccccc2O1)CNC1=NCCCC1
Show InChI InChI=1/C18H27N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-2,6-7,16,19H,3-5,8-14H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403508
PNG
(CHEMBL88207)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ccccn1
Show InChI InChI=1/C18H23N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-4,6-8,12,16,19H,5,9-11,13-14H2,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403503
PNG
(ALNIDITAN)
Show SMILES C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403522
PNG
(CHEMBL88283)
Show SMILES COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12
Show InChI InChI=1/C18H28N4O2/c1-23-16-6-2-5-14-7-8-15(24-17(14)16)13-19-9-3-10-20-18-21-11-4-12-22-18/h2,5-6,15,19H,3-4,7-13H2,1H3,(H2,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403519
PNG
(CHEMBL88784)
Show SMILES C(CCNCC1CCc2ccccc2O1)CCNC1=NCCCN1
Show InChI InChI=1/C19H30N4O/c1(5-12-21-19-22-13-6-14-23-19)4-11-20-15-17-10-9-16-7-2-3-8-18(16)24-17/h2-3,7-8,17,20H,1,4-6,9-15H2,(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403510
PNG
(CHEMBL329207)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ccncn1
Show InChI InChI=1/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-9-3-10-20-17-8-11-19-13-21-17/h1-2,4-5,8,11,13,15,18H,3,6-7,9-10,12H2,(H,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403516
PNG
(CHEMBL88208)
Show SMILES C(CNCC1CCc2ccccc2O1)CNC1=NCCN1
Show InChI InChI=1/C16H24N4O/c1-2-5-15-13(4-1)6-7-14(21-15)12-17-8-3-9-18-16-19-10-11-20-16/h1-2,4-5,14,17H,3,6-12H2,(H2,18,19,20)
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403494
PNG
(CHEMBL91123)
Show SMILES C(CNCC1CCc2ccccc2O1)CNC1=NCCCC1
Show InChI InChI=1/C18H27N3O/c1-2-7-17-15(6-1)9-10-16(22-17)14-19-11-5-13-21-18-8-3-4-12-20-18/h1-2,6-7,16,19H,3-5,8-14H2,(H,20,21)
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251460
PNG
((+/-)-2-(2-(2-(2,6-diethylphenyl)-4-isopropoxy-5,6...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC(C)C)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1/C30H38N2O2/c1-5-21-12-9-13-22(6-2)29(21)27-19-28(34-20(3)4)30-25(15-10-16-26(30)32-27)31-24-14-8-7-11-23(24)17-18-33/h7-9,11-14,19-20,25,31,33H,5-6,10,15-18H2,1-4H3
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PubMed
n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403515
PNG
(CHEMBL89427)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1nccs1
Show InChI InChI=1/C16H21N3OS/c1-2-5-15-13(4-1)6-7-14(20-15)12-17-8-3-9-18-16-19-10-11-21-16/h1-2,4-5,10-11,14,17H,3,6-9,12H2,(H,18,19)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403495
PNG
(CHEMBL431211)
Show SMILES C(CCNC1=NCCCN1)CNCC1CCc2ccccc2O1
Show InChI InChI=1/C18H28N4O/c1-2-7-17-15(6-1)8-9-16(23-17)14-19-10-3-4-11-20-18-21-12-5-13-22-18/h1-2,6-7,16,19H,3-5,8-14H2,(H2,20,21,22)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403520
PNG
(CHEMBL90443)
Show SMILES CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
Show InChI InChI=1/C17H29N5O/c1-13(2)21-17(18)22-20-11-5-10-19-12-15-9-8-14-6-3-4-7-16(14)23-15/h3-4,6-7,13,15,19-20H,5,8-12H2,1-2H3,(H3,18,21,22)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403518
PNG
(CHEMBL90405)
Show SMILES Fc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1
Show InChI InChI=1/C17H25FN4O/c18-14-4-6-16-13(11-14)3-5-15(23-16)12-19-7-1-8-20-17-21-9-2-10-22-17/h4,6,11,15,19H,1-3,5,7-10,12H2,(H2,20,21,22)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403500
PNG
(CHEMBL88152)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1cnccn1
Show InChI InChI=1/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-8-3-9-20-17-13-19-10-11-21-17/h1-2,4-5,10-11,13,15,18H,3,6-9,12H2,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403519
PNG
(CHEMBL88784)
Show SMILES C(CCNCC1CCc2ccccc2O1)CCNC1=NCCCN1
Show InChI InChI=1/C19H30N4O/c1(5-12-21-19-22-13-6-14-23-19)4-11-20-15-17-10-9-16-7-2-3-8-18(16)24-17/h2-3,7-8,17,20H,1,4-6,9-15H2,(H2,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403510
PNG
(CHEMBL329207)
Show SMILES C(CNCC1CCc2ccccc2O1)CNc1ccncn1
Show InChI InChI=1/C17H22N4O/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-9-3-10-20-17-8-11-19-13-21-17/h1-2,4-5,8,11,13,15,18H,3,6-7,9-10,12H2,(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403506
PNG
(CHEMBL91596)
Show SMILES COc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
Show InChI InChI=1/C18H28N4O2/c1-23-15-6-4-14-5-7-16(24-17(14)12-15)13-19-8-2-9-20-18-21-10-3-11-22-18/h4,6,12,16,19H,2-3,5,7-11,13H2,1H3,(H2,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403491
PNG
(CHEMBL88212)
Show SMILES C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403495
PNG
(CHEMBL431211)
Show SMILES C(CCNC1=NCCCN1)CNCC1CCc2ccccc2O1
Show InChI InChI=1/C18H28N4O/c1-2-7-17-15(6-1)8-9-16(23-17)14-19-10-3-4-11-20-18-21-12-5-13-22-18/h1-2,6-7,16,19H,3-5,8-14H2,(H2,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403516
PNG
(CHEMBL88208)
Show SMILES C(CNCC1CCc2ccccc2O1)CNC1=NCCN1
Show InChI InChI=1/C16H24N4O/c1-2-5-15-13(4-1)6-7-14(21-15)12-17-8-3-9-18-16-19-10-11-20-16/h1-2,4-5,14,17H,3,6-12H2,(H2,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403498
PNG
(CHEMBL312845)
Show SMILES CC(C)NC(NCCCNCC1CCc2ccccc2O1)=NC#N
Show InChI InChI=1/C18H27N5O/c1-14(2)23-18(22-13-19)21-11-5-10-20-12-16-9-8-15-6-3-4-7-17(15)24-16/h3-4,6-7,14,16,20H,5,8-12H2,1-2H3,(H2,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403502
PNG
(CHEMBL88783)
Show SMILES C(CNC1=NCCCN1)NCC1CCc2ccccc2O1
Show InChI InChI=1/C16H24N4O/c1-2-5-15-13(4-1)6-7-14(21-15)12-17-10-11-20-16-18-8-3-9-19-16/h1-2,4-5,14,17H,3,6-12H2,(H2,18,19,20)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403491
PNG
(CHEMBL88212)
Show SMILES C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403521
PNG
(CHEMBL89448)
Show SMILES C(CNCC1COc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251405
PNG
((2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrah...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(ccc1CO)C(F)(F)F
Show InChI InChI=1/C28H31F3N2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(35-3)27-21(10-7-11-22(27)33-24)32-23-14-20(28(29,30)31)13-12-19(23)16-34/h6,8-9,12-15,21,32,34H,4-5,7,10-11,16H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403521
PNG
(CHEMBL89448)
Show SMILES C(CNCC1COc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403518
PNG
(CHEMBL90405)
Show SMILES Fc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1
Show InChI InChI=1/C17H25FN4O/c18-14-4-6-16-13(11-14)3-5-15(23-16)12-19-7-1-8-20-17-21-9-2-10-22-17/h4,6,11,15,19H,1-3,5,7-10,12H2,(H2,20,21,22)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251404
PNG
((4-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(Cl)ccc1CO
Show InChI InChI=1/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-21(10-7-11-22(27)30-24)29-23-14-20(28)13-12-19(23)16-31/h6,8-9,12-15,21,29,31H,4-5,7,10-11,16H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50292638
PNG
((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...)
Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...


Bioorg Med Chem Lett 18: 5819-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.07.115
BindingDB Entry DOI: 10.7270/Q2RV0NQB
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50251425
PNG
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO
Show InChI InChI=1/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50403504
PNG
(CHEMBL313490)
Show SMILES C(CNc1ncccn1)NCC1CCc2ccccc2O1
Show InChI InChI=1/C16H20N4O/c1-2-5-15-13(4-1)6-7-14(21-15)12-17-10-11-20-16-18-8-3-9-19-16/h1-5,8-9,14,17H,6-7,10-12H2,(H,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
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