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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'tomozane' and Initial = 'h'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.470n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343939
PNG
((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.660n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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1.20n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.5n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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2n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50343947
PNG
(2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-me...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
Show InChI InChI=1S/C19H28N6O/c1-13-10-16(22-17-11-14(2)24-25-17)23-18(15(13)12-20)21-9-7-5-6-8-19(3,4)26/h10-11,26H,5-9H2,1-4H3,(H3,21,22,23,24,25)
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2.30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343941
PNG
(2-(hexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C17H23N5S/c1-4-5-6-7-8-23-17-14(11-18)12(2)9-15(20-17)19-16-10-13(3)21-22-16/h9-10H,4-8H2,1-3H3,(H2,19,20,21,22)
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3.80n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086861
PNG
(3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...)
Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343945
PNG
(2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-py...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1
Show InChI InChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23)
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4.5n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086856
PNG
(CHEMBL147279 | N-((S)-1-Phenethyl-pyrrolidin-2-ylm...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H,21,23)/t19-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora C


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343937
PNG
(CHEMBL1780257 | N-(4-(3-cyano-4-methyl-6-(5-methyl...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1
Show InChI InChI=1S/C19H18N6OS/c1-11-8-17(22-18-9-12(2)24-25-18)23-19(16(11)10-20)27-15-6-4-14(5-7-15)21-13(3)26/h4-9H,1-3H3,(H,21,26)(H2,22,23,24,25)
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5.30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086857
PNG
(5-Methylsulfanyl-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CSc1cc2CCOc2c(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c1-28-20-14-18-10-13-27-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343942
PNG
(2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
Show InChI InChI=1S/C17H23N5OS/c1-12-9-15(19-16-10-13(2)21-22-16)20-17(14(12)11-18)24-8-6-4-3-5-7-23/h9-10,23H,3-8H2,1-2H3,(H2,19,20,21,22)
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8.5n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343946
PNG
(2-(6-hydroxy-6-methylheptylthio)-4-methyl-6-(5-met...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1
Show InChI InChI=1S/C19H27N5OS/c1-13-10-16(21-17-11-14(2)23-24-17)22-18(15(13)12-20)26-9-7-5-6-8-19(3,4)25/h10-11,25H,5-9H2,1-4H3,(H2,21,22,23,24)
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9.70n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086858
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m0/s1
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10n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086852
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
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12n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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18n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343944
PNG
(2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-py...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1
Show InChI InChI=1S/C13H16N6O/c1-8-5-11(16-12-6-9(2)18-19-12)17-13(10(8)7-14)15-3-4-20/h5-6,20H,3-4H2,1-2H3,(H3,15,16,17,18,19)
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20n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086854
PNG
(5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid...)
Show SMILES COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-27-20-14-18-10-13-28-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m0/s1
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21n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086851
PNG
(2-Methoxy-5-methylsulfanyl-N-((S)-1-phenethyl-pyrr...)
Show SMILES COc1ccc(SC)cc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C22H28N2O2S/c1-26-21-11-10-19(27-2)15-20(21)22(25)23-16-18-9-6-13-24(18)14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,18H,6,9,12-14,16H2,1-2H3,(H,23,25)/t18-/m0/s1
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24n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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24n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Yes


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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26n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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28n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Fyn


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343943
PNG
(2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
Show InChI InChI=1S/C17H24N6S/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-19)24-8-6-4-3-5-7-18/h9-10H,3-8,18H2,1-2H3,(H2,20,21,22,23)
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28n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086852
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
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34n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086862
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m1/s1
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35n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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43n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086862
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m1/s1
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57n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343940
PNG
((R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m1/s1
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66n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086863
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m1/s1
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86n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086857
PNG
(5-Methylsulfanyl-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CSc1cc2CCOc2c(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c1-28-20-14-18-10-13-27-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m1/s1
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100n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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101n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086860
PNG
(3-Methylsulfanyl-N-((R)-1-phenethyl-pyrrolidin-2-y...)
Show SMILES CSc1cccc(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m1/s1
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110n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086854
PNG
(5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid...)
Show SMILES COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-27-20-14-18-10-13-28-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m0/s1
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120n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086861
PNG
(3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...)
Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1
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160n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086851
PNG
(2-Methoxy-5-methylsulfanyl-N-((S)-1-phenethyl-pyrr...)
Show SMILES COc1ccc(SC)cc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C22H28N2O2S/c1-26-21-11-10-19(27-2)15-20(21)22(25)23-16-18-9-6-13-24(18)14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,18H,6,9,12-14,16H2,1-2H3,(H,23,25)/t18-/m0/s1
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170n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
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190n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
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240n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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240n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086858
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-26-12-13-29-22-20(14-18(24)15-21(22)26)23(28)25-16-19-8-5-10-27(19)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,25,28)/t19-/m0/s1
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280n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086852
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343936
PNG
(CHEMBL1780256 | N-(4-(3-cyano-6-(5-methyl-1H-pyraz...)
Show SMILES CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1
Show InChI InChI=1S/C26H24N6OS/c1-16(2)25(33)28-19-9-11-20(12-10-19)34-26-22(15-27)21(18-7-5-4-6-8-18)14-23(30-26)29-24-13-17(3)31-32-24/h4-14,16H,1-3H3,(H,28,33)(H2,29,30,31,32)
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310n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086857
PNG
(5-Methylsulfanyl-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CSc1cc2CCOc2c(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O2S/c1-28-20-14-18-10-13-27-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m1/s1
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430n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086856
PNG
(CHEMBL147279 | N-((S)-1-Phenethyl-pyrrolidin-2-ylm...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2,(H,21,23)/t19-/m0/s1
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430n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086863
PNG
(6-Chloro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine...)
Show SMILES CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
Show InChI InChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-6-15(23)13-21-19(24)16-11-14(20)12-17-18(16)25-10-9-22(17)2/h11-12,15H,3-10,13H2,1-2H3,(H,21,24)/t15-/m1/s1
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430n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
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