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Compile Data Set for Download or QSAR

Found 2340 hits with Last Name = 'bhat' and Initial = 'r'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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 0.0450n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone

J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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US Patent
 0.190n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50401333
PNG
(CHEMBL1230584)
Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
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 0.200n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay

J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397757
PNG
(CHEMBL2177173)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1CN1CCCC1
Show InChI InChI=1S/C26H32N8O3S/c1-32-12-14-34(15-13-32)38(36,37)21-6-4-19(5-7-21)23-17-29-25(27)24(30-23)26(35)31-22-16-28-9-8-20(22)18-33-10-2-3-11-33/h4-9,16-17H,2-3,10-15,18H2,1H3,(H2,27,29)(H,31,35)
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 0.220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
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 0.300n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Dopamine, D2s: Radioligand: [3H]Spiperone (20-60 Ci/mmol) or [3H]-7-hydroxy DPAT, 1.0 nMControl Compound: Haloperidol or ChlorpromazineIncubation Con...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397744
PNG
(CHEMBL2177163)
Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28)
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 0.400n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397749
PNG
(CHEMBL2182002)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(c(C)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H25N7O3S/c1-15-12-17(33(31,32)29-10-8-28(2)9-11-29)5-6-18(15)19-14-25-21(23)20(27-19)22(30)26-16-4-3-7-24-13-16/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30)
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 0.460n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397756
PNG
(CHEMBL2177174)
Show SMILES CN(C)Cc1ccncc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C23H27N7O3S/c1-29(2)15-17-9-10-25-13-19(17)28-23(31)21-22(24)26-14-20(27-21)16-5-7-18(8-6-16)34(32,33)30-11-3-4-12-30/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H2,24,26)(H,28,31)
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 0.480n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
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 0.560n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor in guinea pig brain membranes

Bioorg Med Chem Lett 23: 5011-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.032
BindingDB Entry DOI: 10.7270/Q2TQ62ZZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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 0.620n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Dopamine, D2s: Radioligand: [3H]Spiperone (20-60 Ci/mmol) or [3H]-7-hydroxy DPAT, 1.0 nMControl Compound: Haloperidol or ChlorpromazineIncubation Con...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM312156
PNG
(6-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)-2H...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H29N3O4/c1-28-22-7-3-2-6-20(22)26-13-11-25(12-14-26)10-4-5-15-29-18-8-9-21-19(16-18)24-23(27)17-30-21/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,24,27)
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 0.650n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397743
PNG
(CHEMBL2177165)
Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H20N6O4S/c21-19-18(20(27)24-15-2-1-7-22-12-15)25-17(13-23-19)14-3-5-16(6-4-14)31(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,21,23)(H,24,27)
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 0.670n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397753
PNG
(CHEMBL2177177)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ncns1
Show InChI InChI=1S/C18H20N8O3S2/c1-25-6-8-26(9-7-25)31(28,29)13-4-2-12(3-5-13)14-10-20-16(19)15(23-14)17(27)24-18-21-11-22-30-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20)(H,21,22,24,27)
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 0.990n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397748
PNG
(CHEMBL2177155)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(n2)C(=O)Nc2cccnc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N7O3S/c1-31-7-9-32(10-8-31)36(34,35)15-4-5-16(17(11-15)22(23,24)25)18-13-28-20(26)19(30-18)21(33)29-14-3-2-6-27-12-14/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33)
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 1.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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 1.16n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202585
PNG
(US10035761, Compound 8j | US9238625, 8j)
Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1
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 1.16n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202584
PNG
(US10035761, Compound 8h | US9238625, 8h)
Show SMILES COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H31Cl2NO/c1-15(2)13-19(23-11-4-5-12-24-3)20(9-6-10-20)16-7-8-17(21)18(22)14-16/h7-8,14-15,19,23H,4-6,9-13H2,1-3H3/t19-/m1/s1
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 1.19n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202584
PNG
(US10035761, Compound 8h | US9238625, 8h)
Show SMILES COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H31Cl2NO/c1-15(2)13-19(23-11-4-5-12-24-3)20(9-6-10-20)16-7-8-17(21)18(22)14-16/h7-8,14-15,19,23H,4-6,9-13H2,1-3H3/t19-/m1/s1
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 1.19n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397768
PNG
(CHEMBL2182001)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H22FN7O3S/c1-28-7-9-29(10-8-28)33(31,32)15-4-5-16(17(22)11-15)18-13-25-20(23)19(27-18)21(30)26-14-3-2-6-24-12-14/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30)
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 1.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202582
PNG
(US10035761, Compound 8a | US9238625, 8a)
Show SMILES CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H29Cl2NO/c1-4-23-11-10-22-18(12-14(2)3)19(8-5-9-19)15-6-7-16(20)17(21)13-15/h6-7,13-14,18,22H,4-5,8-12H2,1-3H3
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 1.40n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202582
PNG
(US10035761, Compound 8a | US9238625, 8a)
Show SMILES CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H29Cl2NO/c1-4-23-11-10-22-18(12-14(2)3)19(8-5-9-19)15-6-7-16(20)17(21)13-15/h6-7,13-14,18,22H,4-5,8-12H2,1-3H3
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 1.40n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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 1.5n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397767
PNG
(CHEMBL2177156)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C)c(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C23H27N7O3S/c1-15-12-20(34(32,33)30-9-7-29(3)8-10-30)16(2)11-18(15)19-14-26-22(24)21(28-19)23(31)27-17-5-4-6-25-13-17/h4-6,11-14H,7-10H2,1-3H3,(H2,24,26)(H,27,31)
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 1.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM20800
PNG
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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 1.70n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay

J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
AMP deaminase 3


(Homo sapiens (Human))		BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4|
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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 2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase

J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397746
PNG
(CHEMBL2177159)
Show SMILES COCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26)
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 2n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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 2.10n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT

J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202582
PNG
(US10035761, Compound 8a | US9238625, 8a)
Show SMILES CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H29Cl2NO/c1-4-23-11-10-22-18(12-14(2)3)19(8-5-9-19)15-6-7-16(20)17(21)13-15/h6-7,13-14,18,22H,4-5,8-12H2,1-3H3
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 2.38n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202582
PNG
(US10035761, Compound 8a | US9238625, 8a)
Show SMILES CCOCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H29Cl2NO/c1-4-23-11-10-22-18(12-14(2)3)19(8-5-9-19)15-6-7-16(20)17(21)13-15/h6-7,13-14,18,22H,4-5,8-12H2,1-3H3
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 2.38n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202584
PNG
(US10035761, Compound 8h | US9238625, 8h)
Show SMILES COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H31Cl2NO/c1-15(2)13-19(23-11-4-5-12-24-3)20(9-6-10-20)16-7-8-17(21)18(22)14-16/h7-8,14-15,19,23H,4-6,9-13H2,1-3H3/t19-/m1/s1
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 2.39n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202584
PNG
(US10035761, Compound 8h | US9238625, 8h)
Show SMILES COCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H31Cl2NO/c1-15(2)13-19(23-11-4-5-12-24-3)20(9-6-10-20)16-7-8-17(21)18(22)14-16/h7-8,14-15,19,23H,4-6,9-13H2,1-3H3/t19-/m1/s1
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 2.39n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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 2.5n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM312188
PNG
(6-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-4-3-5-19(22(17)24)27-11-9-26(10-12-27)8-1-2-13-29-16-6-7-20-18(14-16)25-21(28)15-30-20/h3-7,14H,1-2,8-13,15H2,(H,25,28)
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 2.70n/an/an/an/an/an/an/an/a



Reviva Pharmaceuticals, Inc.

US Patent


Assay Description
Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)C...

US Patent US10441590 (2019)


BindingDB Entry DOI: 10.7270/Q2959KXP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202581
PNG
(US10035761, Compound 7g | US9238625, 7g)
Show SMILES CCOCCCCNC(CC(C)C)C1(CCC1)c1ccc(SC)cc1
Show InChI InChI=1S/C22H37NOS/c1-5-24-16-7-6-15-23-21(17-18(2)3)22(13-8-14-22)19-9-11-20(25-4)12-10-19/h9-12,18,21,23H,5-8,13-17H2,1-4H3
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 2.99n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202581
PNG
(US10035761, Compound 7g | US9238625, 7g)
Show SMILES CCOCCCCNC(CC(C)C)C1(CCC1)c1ccc(SC)cc1
Show InChI InChI=1S/C22H37NOS/c1-5-24-16-7-6-15-23-21(17-18(2)3)22(13-8-14-22)19-9-11-20(25-4)12-10-19/h9-12,18,21,23H,5-8,13-17H2,1-4H3
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 2.99n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397762
PNG
(CHEMBL2177168)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H23N7O2/c1-28-9-11-29(12-10-28)22(31)16-6-4-15(5-7-16)18-14-25-20(23)19(27-18)21(30)26-17-3-2-8-24-13-17/h2-8,13-14H,9-12H2,1H3,(H2,23,25)(H,26,30)
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 3.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))		BDBM13014
PNG
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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 3.10n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay

Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202587
PNG
(US10035761, Compound 12c | US9238625, 12c)
Show SMILES CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCSCC
Show InChI InChI=1S/C21H35NOS/c1-5-23-19-10-8-18(9-11-19)21(12-7-13-21)20(16-17(3)4)22-14-15-24-6-2/h8-11,17,20,22H,5-7,12-16H2,1-4H3
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 3.31n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202587
PNG
(US10035761, Compound 12c | US9238625, 12c)
Show SMILES CCOc1ccc(cc1)C1(CCC1)C(CC(C)C)NCCSCC
Show InChI InChI=1S/C21H35NOS/c1-5-23-19-10-8-18(9-11-19)21(12-7-13-21)20(16-17(3)4)22-14-15-24-6-2/h8-11,17,20,22H,5-7,12-16H2,1-4H3
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 3.31n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202583
PNG
(US10035761, Compound 8d | US9238625, 8d)
Show SMILES CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-12-25-13-6-11-24-20(14-16(2)3)21(9-5-10-21)17-7-8-18(22)19(23)15-17/h7-8,15-16,20,24H,4-6,9-14H2,1-3H3/t20-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM202583
PNG
(US10035761, Compound 8d | US9238625, 8d)
Show SMILES CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-12-25-13-6-11-24-20(14-16(2)3)21(9-5-10-21)17-7-8-18(22)19(23)15-17/h7-8,15-16,20,24H,4-6,9-14H2,1-3H3/t20-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397764
PNG
(CHEMBL2177162)
Show SMILES Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H20N6O3S/c21-19-18(20(27)24-15-4-3-9-22-12-15)25-17(13-23-19)14-5-7-16(8-6-14)30(28,29)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H2,21,23)(H,24,27)
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 4.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50591808
PNG
(CHEMBL5207397)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |r|
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 4.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114269
BindingDB Entry DOI: 10.7270/Q2JM2FM0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397745
PNG
(CHEMBL2177161)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)
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 4.90n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50089653
PNG
(CHEMBL3576974)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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 5n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry

Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202583
PNG
(US10035761, Compound 8d | US9238625, 8d)
Show SMILES CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-12-25-13-6-11-24-20(14-16(2)3)21(9-5-10-21)17-7-8-18(22)19(23)15-17/h7-8,15-16,20,24H,4-6,9-14H2,1-3H3/t20-/m1/s1
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 5.45n/an/an/an/an/an/an/an/a



Revivia Pharmaceuticals, Inc.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ...

US Patent US10035761 (2018)


BindingDB Entry DOI: 10.7270/Q2D220N9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM202583
PNG
(US10035761, Compound 8d | US9238625, 8d)
Show SMILES CCCOCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H33Cl2NO/c1-4-12-25-13-6-11-24-20(14-16(2)3)21(9-5-10-21)17-7-8-18(22)19(23)15-17/h7-8,15-16,20,24H,4-6,9-14H2,1-3H3/t20-/m1/s1
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 5.45n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...

US Patent US9238625 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GKK
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50397766
PNG
(CHEMBL2177158)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1C)-c1cnc(N)c(n1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H25N7O3S/c1-15-12-16(5-6-19(15)33(31,32)29-10-8-28(2)9-11-29)18-14-25-21(23)20(27-18)22(30)26-17-4-3-7-24-13-17/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30)
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 6.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity ...

J Med Chem 55: 9107-19 (2012)


Article DOI: 10.1021/jm201724m
BindingDB Entry DOI: 10.7270/Q2X0685T
More data for this
Ligand-Target Pair
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