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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'austin' and Initial = 'n'   
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 1B


(Homo sapiens (Human))
BDBM50410424
PNG
(CHEMBL199088)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410428
PNG
(CHEMBL380812)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410424
PNG
(CHEMBL199088)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410430
PNG
(CHEMBL372743)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410437
PNG
(CHEMBL370625)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410428
PNG
(CHEMBL380812)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410432
PNG
(CHEMBL197947)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410430
PNG
(CHEMBL372743)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410432
PNG
(CHEMBL197947)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410428
PNG
(CHEMBL380812)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410430
PNG
(CHEMBL372743)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410434
PNG
(CHEMBL372651)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
Show InChI InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410436
PNG
(CHEMBL382078)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m0/s1
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410429
PNG
(CHEMBL194809)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-19-15-21-17(14-16(19)6-8-25-22)7-9-28(21)23(29)18-4-2-3-5-20(18)24/h2-6,8,14-15H,7,9-13H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410433
PNG
(CHEMBL426285)
Show SMILES CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C30H31N7O/c1-3-27-26(20-33-37(27)24-7-5-21(19-31)6-8-24)30(38)36-12-10-23-17-22-9-11-32-29(25(22)18-28(23)36)35-15-13-34(4-2)14-16-35/h5-9,11,17-18,20H,3-4,10,12-16H2,1-2H3
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410432
PNG
(CHEMBL197947)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50000027
PNG
(CHEMBL51977)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(Cl)cccc2C1
Show InChI InChI=1S/C30H35ClN2O/c1-2-20-33(27-17-18-28-26(22-27)11-8-12-29(28)31)21-7-6-19-32-30(34)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,32,34)
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50000022
PNG
(CHEMBL57219)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C31H35F3N2O4S/c1-2-20-36(27-17-18-28-26(22-27)11-8-12-29(28)40-41(38,39)31(32,33)34)21-7-6-19-35-30(37)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27H,2,6-7,17-22H2,1H3,(H,35,37)
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410439
PNG
(CHEMBL199175)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cc(C)oc4C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H23F3N4O2/c1-14-11-18(20(32-14)23(24,25)26)22(31)30-6-4-16-12-15-3-5-27-21(17(15)13-19(16)30)29-9-7-28(2)8-10-29/h3,5,11-13H,4,6-10H2,1-2H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410436
PNG
(CHEMBL382078)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217169
PNG
(CHEMBL279925)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217172
PNG
(CHEMBL52724)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217155
PNG
(CHEMBL291545)
Show SMILES FC(F)(F)S(=O)(=O)Oc1ccc2CCN(CCCCNC(=O)\C=C\c3ccc4[nH]ccc4c3)Cc2c1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410435
PNG
(CHEMBL191971 | SB-272183)
Show SMILES CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C29H28ClN5O/c1-33-14-16-34(17-15-33)28-19-27-21(18-25(28)30)10-13-35(27)29(36)32-26-7-6-22(20-8-11-31-12-9-20)23-4-2-3-5-24(23)26/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,32,36)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217165
PNG
(CHEMBL367129)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217171
PNG
(CHEMBL54777)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217176
PNG
(CHEMBL297960)
Show SMILES FC(F)(F)S(=O)(=O)Oc1ccc2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccc(cc3)N3CCCC3=O)Cc2c1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217156
PNG
(CHEMBL52466)
Show SMILES Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1
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2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218750
PNG
(CHEMBL299498)
Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410429
PNG
(CHEMBL194809)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-19-15-21-17(14-16(19)6-8-25-22)7-9-28(21)23(29)18-4-2-3-5-20(18)24/h2-6,8,14-15H,7,9-13H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410433
PNG
(CHEMBL426285)
Show SMILES CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C30H31N7O/c1-3-27-26(20-33-37(27)24-7-5-21(19-31)6-8-24)30(38)36-12-10-23-17-22-9-11-32-29(25(22)18-28(23)36)35-15-13-34(4-2)14-16-35/h5-9,11,17-18,20H,3-4,10,12-16H2,1-2H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410434
PNG
(CHEMBL372651)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
Show InChI InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410434
PNG
(CHEMBL372651)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
Show InChI InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410441
PNG
(CHEMBL197169)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12
Show InChI InChI=1S/C22H25N5O2/c1-14-20(29-15(2)24-14)22(28)27-7-5-17-12-16-4-6-23-21(18(16)13-19(17)27)26-10-8-25(3)9-11-26/h4,6,12-13H,5,7-11H2,1-3H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410424
PNG
(CHEMBL199088)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410436
PNG
(CHEMBL382078)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m0/s1
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410433
PNG
(CHEMBL426285)
Show SMILES CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C30H31N7O/c1-3-27-26(20-33-37(27)24-7-5-21(19-31)6-8-24)30(38)36-12-10-23-17-22-9-11-32-29(25(22)18-28(23)36)35-15-13-34(4-2)14-16-35/h5-9,11,17-18,20H,3-4,10,12-16H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50217164
PNG
(CHEMBL416842)
Show SMILES COc1cccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1
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3.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 179-84 (1999)


BindingDB Entry DOI: 10.7270/Q2057J4D
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219243
PNG
(CHEMBL351300)
Show SMILES Fc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(Br)cc4C3)CC2)cc1 |wU:10.9,wD:13.13,(23.16,-8.33,;22.06,-9.43,;22.06,-10.97,;20.72,-11.75,;19.39,-10.97,;18.06,-11.74,;16.73,-10.97,;15.39,-11.74,;15.39,-13.28,;14.05,-10.97,;12.7,-11.72,;12.7,-13.27,;11.39,-14.04,;10.05,-13.27,;8.72,-14.05,;7.37,-13.29,;6.04,-14.06,;5.13,-12.81,;3.66,-13.3,;2.32,-12.53,;.99,-13.3,;.99,-14.86,;-.34,-15.62,;2.32,-15.63,;3.66,-14.83,;5.15,-15.32,;10.05,-11.72,;11.39,-10.95,;19.39,-9.43,;20.72,-8.66,)|
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3.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 685-8 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9SMH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50218410
PNG
(CHEMBL313255)
Show SMILES CC(=O)Nc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:14.13,wD:17.17,(30.46,-21.82,;29.69,-20.49,;30.46,-19.16,;28.15,-20.51,;27.37,-19.16,;28.14,-17.83,;27.37,-16.5,;25.81,-16.5,;25.04,-17.83,;23.5,-17.83,;22.73,-16.5,;21.19,-16.5,;20.42,-17.83,;20.42,-15.17,;18.88,-15.17,;18.11,-16.5,;16.55,-16.5,;15.78,-15.17,;14.24,-15.15,;13.49,-13.82,;11.95,-13.8,;11.28,-12.41,;9.78,-12.07,;8.59,-13.03,;7.26,-12.26,;5.91,-13.03,;5.91,-14.57,;7.26,-15.34,;8.59,-14.57,;9.78,-15.52,;11.28,-15.17,;4.56,-15.34,;3.23,-16.11,;16.55,-13.84,;18.11,-13.84,;25.81,-19.16,)|
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3.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2553-5 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7X55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50218409
PNG
(CHEMBL87600)
Show SMILES COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:12.11,wD:15.15,(30.92,-20.53,;29.38,-20.54,;28.59,-19.19,;29.36,-17.86,;28.59,-16.53,;27.05,-16.53,;26.28,-17.86,;24.73,-17.86,;23.96,-16.53,;22.42,-16.52,;21.64,-17.85,;21.66,-15.17,;20.12,-15.17,;19.35,-16.5,;17.8,-16.5,;17.03,-15.17,;15.49,-15.15,;14.73,-13.82,;13.19,-13.8,;12.51,-12.41,;11.02,-12.07,;9.83,-13.03,;8.5,-12.26,;7.16,-13.03,;7.16,-14.57,;8.5,-15.34,;9.83,-14.57,;11.02,-15.52,;12.51,-15.17,;5.82,-15.34,;4.46,-16.11,;17.8,-13.82,;19.35,-13.82,;27.05,-19.19,)|
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3.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2553-5 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7X55
More data for this
Ligand-Target Pair
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