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Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'cohen' and Initial = 'p'   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031347
PNG
(2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(N)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Non competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031347
PNG
(2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(N)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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3n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031343
PNG
(2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(N)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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5n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119543
PNG
(CHEMBL3617549)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H21FN2O2/c1-23-11-9-14(10-12-23)19(24)16-3-2-4-18(13-16)22-20(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031341
PNG
(4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1N
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3
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8n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119542
PNG
(CHEMBL3617550)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C20H20F2N2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)22)23-20(26)14-5-7-15(21)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)
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8.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031343
PNG
(2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(N)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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9n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031341
PNG
(4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1N
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3
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9n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119532
PNG
(CHEMBL3617557)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25)
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9.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031344
PNG
(4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(O)cc1N
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2
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11n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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12n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031346
PNG
(4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...)
Show SMILES NCCc1cc(N)c(O)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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13n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031342
PNG
(5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1O
Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3
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16n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031344
PNG
(4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...)
Show SMILES NCCc1cc(O)c(O)cc1N
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2
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17n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031342
PNG
(5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...)
Show SMILES CC(N)Cc1cc(O)c(O)cc1O
Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3
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26n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119540
PNG
(CHEMBL3617552)
Show SMILES CN1CCC(CC1)C(=O)c1cc(F)cc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20F2N2O2/c1-24-8-6-13(7-9-24)19(25)15-10-17(22)12-18(11-15)23-20(26)14-2-4-16(21)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,23,26)
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41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50031348
PNG
(4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...)
Show SMILES CC(N)Cc1cc(N)c(O)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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46n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031346
PNG
(4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...)
Show SMILES NCCc1cc(N)c(O)cc1O
Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2
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47n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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50n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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51n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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60n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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80n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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110n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50031348
PNG
(4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...)
Show SMILES CC(N)Cc1cc(N)c(O)cc1O
Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3
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112n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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190n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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230n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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380n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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470n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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470n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119539
PNG
(CHEMBL3617553)
Show SMILES CN1CCC(CC1)C(=O)c1ccc(F)c(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)15-4-7-17(22)18(12-15)23-20(26)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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530n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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590n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119535
PNG
(CHEMBL3616488)
Show SMILES COc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1
Show InChI InChI=1S/C21H23FN2O3/c1-24-12-10-14(11-13-24)19(25)17-4-3-5-18(20(17)27-2)23-21(26)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,23,26)
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610n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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670n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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730n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119537
PNG
(CHEMBL3617555)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C
Show InChI InChI=1S/C21H23FN2O2/c1-14-18(20(25)15-10-12-24(2)13-11-15)4-3-5-19(14)23-21(26)16-6-8-17(22)9-7-16/h3-9,15H,10-13H2,1-2H3,(H,23,26)
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870n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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1.06E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119533
PNG
(CHEMBL3617556)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1O
Show InChI InChI=1S/C20H21FN2O3/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(19(16)25)22-20(26)14-5-7-15(21)8-6-14/h2-8,13,25H,9-12H2,1H3,(H,22,26)
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1.10E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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1.29E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119541
PNG
(CHEMBL3617551)
Show SMILES CN1CCC(CC1)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1F
Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)17-12-16(6-7-18(17)22)23-20(26)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119538
PNG
(CHEMBL3617554)
Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1Cl
Show InChI InChI=1S/C20H20ClFN2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)21)23-20(26)14-5-7-15(22)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)
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1.70E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119530
PNG
(CHEMBL3617560)
Show SMILES CN1CCC(CC1)C(=O)c1ccnc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H20FN3O2/c1-23-10-7-13(8-11-23)18(24)15-6-9-21-17(12-15)22-19(25)14-2-4-16(20)5-3-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,22,25)
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2.40E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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Article
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3.10E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50119531
PNG
(CHEMBL3617559)
Show SMILES CN1CCC(CC1)C(=O)c1cncc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H20FN3O2/c1-23-8-6-13(7-9-23)18(24)15-10-17(12-21-11-15)22-19(25)14-2-4-16(20)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,22,25)
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3.20E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay


Bioorg Med Chem Lett 25: 4337-41 (2015)


BindingDB Entry DOI: 10.7270/Q2NC630T
More data for this
Ligand-Target Pair
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