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Compile Data Set for Download or QSAR

Found 934 hits with Last Name = 'edwards' and Initial = 'l'   
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
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073585
PNG
(CHEMBL3408945)
Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
Show InChI InChI=1/C32H32N4O3/c1-35-30-12-9-24(38-2)18-26(30)32(31(35)37)19-27(32)23-8-10-25-28(33-34-29(25)17-23)11-7-21-3-5-22(6-4-21)20-36-13-15-39-16-14-36/h3-12,17-18,27H,13-16,19-20H2,1-2H3,(H,33,34)/b11-7+/t27-,32-/s2
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090516
PNG
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
Show InChI InChI=1/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/s2
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0.260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090517
PNG
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133454
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C27H32N4O/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133462
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C27H32N4S/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133466
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19|
Show InChI InChI=1S/C26H29ClN4O/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090519
PNG
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133457
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
Show InChI InChI=1S/C27H32N4O2/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(32)29-22-6-8-24(33-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,32)/t23-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133465
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:19|
Show InChI InChI=1S/C26H30N4O/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133468
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090523
PNG
(2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine...)
Show SMILES Cn1cc(CCN)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(7-8-16)10-17(14)4/h5-6,9-10H,7-8,16H2,1-4H3
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0.450n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133453
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
Show InChI InChI=1S/C27H32N4OS/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(33)29-22-6-8-24(32-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,33)/t23-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133451
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19|
Show InChI InChI=1S/C26H29ClN4S/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133458
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19|
Show InChI InChI=1S/C26H30N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/s2
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0.700n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133459
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4S/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073586
PNG
(CHEMBL3408946)
Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r|
Show InChI InChI=1/C32H32N4O2/c1-20-17-36(18-21(2)38-20)19-23-9-7-22(8-10-23)11-14-28-25-13-12-24(15-30(25)35-34-28)27-16-32(27)26-5-3-4-6-29(26)33-31(32)37/h3-15,20-21,27H,16-19H2,1-2H3,(H,33,37)(H,34,35)/b14-11+/t20-,21+,27-,32-/s2
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133452
PNG
(5-[1-(4-Methoxy-benzenesulfonyl)-1,2,3,6-tetrahydr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 |c:15|
Show InChI InChI=1S/C26H31N3O3S/c1-28-13-3-4-22(28)16-21-18-27-26-10-5-20(17-25(21)26)19-11-14-29(15-12-19)33(30,31)24-8-6-23(32-2)7-9-24/h5-11,17-18,22,27H,3-4,12-16H2,1-2H3/t22-/m1/s1
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0.760n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133464
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(tolue...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C26H31N3O2S/c1-19-5-8-24(9-6-19)32(30,31)29-14-11-20(12-15-29)21-7-10-26-25(17-21)22(18-27-26)16-23-4-3-13-28(23)2/h5-11,17-18,23,27H,3-4,12-16H2,1-2H3/t23-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133455
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-5-[1-(napht...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C29H31N3O2S/c1-31-15-5-8-25(31)18-24-20-30-28-12-11-23(19-27(24)28)21-13-16-32(17-14-21)35(33,34)29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,30H,5,8,14-18H2,1H3/t25-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090522
PNG
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)
Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110941
PNG
(1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-pheny...)
Show SMILES CCCCCc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H32Cl2N4O/c1-3-4-6-9-20-10-12-21(13-11-20)26-19(2)25(27(34)31-32-16-7-5-8-17-32)30-33(26)24-15-14-22(28)18-23(24)29/h10-15,18H,3-9,16-17H2,1-2H3,(H,31,34)
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1n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.30n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136466
PNG
(CHEMBL343492 | Dimethyl-[2-(6-pyridin-3-yl-indol-1...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133462
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C27H32N4S/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133451
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccc(Cl)cc1 |t:19|
Show InChI InChI=1S/C26H29ClN4S/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133467
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)NC1CCCCC1 |t:19|
Show InChI InChI=1S/C26H36N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h9-11,17-18,22-23,27H,2-8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
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2n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50136469
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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2n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133453
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES COc1ccc(NC(=S)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
Show InChI InChI=1S/C27H32N4OS/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(33)29-22-6-8-24(32-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,33)/t23-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090521
PNG
(5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133454
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1 |t:19|
Show InChI InChI=1S/C27H32N4O/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110940
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26Cl3N3O/c1-3-4-5-6-7-14-28-24(31)22-16(2)23(17-8-10-18(25)11-9-17)30(29-22)21-13-12-19(26)15-20(21)27/h8-13,15H,3-7,14H2,1-2H3,(H,28,31)
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3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133456
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC1CCCCC1 |t:19|
Show InChI InChI=1S/C26H36N4O/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h9-11,17-18,22-23,27H,2-8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
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3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110942
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl3N3O/c1-3-4-5-12-26-22(29)20-14(2)21(15-6-8-16(23)9-7-15)28(27-20)19-11-10-17(24)13-18(19)25/h6-11,13H,3-5,12H2,1-2H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133459
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4S/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136462
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1
Show InChI InChI=1S/C17H24N2O2/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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3.40n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090515
PNG
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136465
PNG
(CHEMBL343105 | Dimethyl-{2-[6-(tetrahydro-pyran-4-...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCOCC1
Show InChI InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133466
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(Cl)cc1 |t:19|
Show InChI InChI=1S/C26H29ClN4O/c1-30-12-2-3-23(30)15-20-17-28-25-9-4-19(16-24(20)25)18-10-13-31(14-11-18)26(32)29-22-7-5-21(27)6-8-22/h4-10,16-17,23,28H,2-3,11-15H2,1H3,(H,29,32)/t23-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133468
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133463
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |t:19,TLB:28:29:33:27.26.32,THB:28:27:33:29.34.30|
Show InChI InChI=1S/C30H40N4O/c1-33-8-2-3-26(33)14-25-19-31-28-5-4-24(15-27(25)28)23-6-9-34(10-7-23)29(35)32-30-16-20-11-21(17-30)13-22(12-20)18-30/h4-6,15,19-22,26,31H,2-3,7-14,16-18H2,1H3,(H,32,35)/t20-,21+,22-,26-,30?/m1/s1
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4n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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4.20n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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4.20n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PLK4


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133457
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES COc1ccc(NC(=O)N2CCC(=CC2)c2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 |c:12|
Show InChI InChI=1S/C27H32N4O2/c1-30-13-3-4-23(30)16-21-18-28-26-10-5-20(17-25(21)26)19-11-14-31(15-12-19)27(32)29-22-6-8-24(33-2)9-7-22/h5-11,17-18,23,28H,3-4,12-16H2,1-2H3,(H,29,32)/t23-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136471
PNG
((S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-e...)
Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1
Show InChI InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
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