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Compile Data Set for Download or QSAR

Found 2400 hits with Last Name = 'varney' and Initial = 'm'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433537
PNG
(US10562853, Compound 60)
Show SMILES CC1(C)Cc2cccc(OCCNCC3(F)CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2O1
Show InChI InChI=1S/C25H29ClF2N2O3/c1-24(2)15-18-4-3-5-21(22(18)33-24)32-13-10-29-16-25(28)8-11-30(12-9-25)23(31)17-6-7-20(27)19(26)14-17/h3-7,14,29H,8-13,15-16H2,1-2H3
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US Patent
 0.0100n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50555494
PNG
(CHEMBL4742112)
Show SMILES FC1(CNCCOc2ccccc2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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 0.0148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433479
PNG
(US10562853, Compound 5)
Show SMILES Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-18-12-15(4-5-19(18)24)20(28)27-9-6-21(25,7-10-27)14-26-8-11-29-17-3-1-2-16(23)13-17/h1-5,12-13,26H,6-11,14H2
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 0.0230n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433491
PNG
(US10562853, Compound 12)
Show SMILES CSc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClF2N2O2S/c1-30-20-5-3-2-4-19(20)29-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-18(24)17(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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 0.0290n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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 0.0339n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433480
PNG
(US10562853, Compound 6)
Show SMILES COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-19-4-2-3-5-20(19)30-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-18(24)17(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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 0.0350n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433478
PNG
(US10562853, Compound 4)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c22-16-2-1-3-17(13-16)29-11-8-26-14-21(25)6-9-27(10-7-21)20(28)15-4-5-19(24)18(23)12-15/h1-5,12-13,26H,6-11,14H2
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 0.0430n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433549
PNG
(US10562853, Compound 70)
Show SMILES Fc1ccnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C20H21ClF3N3O2/c21-16-11-14(1-2-17(16)23)19(28)27-8-4-20(24,5-9-27)13-25-7-10-29-18-12-15(22)3-6-26-18/h1-3,6,11-12,25H,4-5,7-10,13H2
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 0.0500n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433483
PNG
(US10562853, Compound 8)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H25ClF2N2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-20(24)19(23)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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 0.0520n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433484
PNG
(US10562853, Compound 9)
Show SMILES COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C22H25Cl2FN2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-19(23)20(24)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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 0.0570n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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 0.0610n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433474
PNG
(US10562853, Compound 1)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
Show InChI InChI=1S/C21H23ClF2N2O2/c22-18-14-16(6-7-19(18)23)20(27)26-11-8-21(24,9-12-26)15-25-10-13-28-17-4-2-1-3-5-17/h1-7,14,25H,8-13,15H2
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 0.0617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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 0.0646n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433501
PNG
(US10562853, Compound 18)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Show InChI InChI=1S/C20H22ClF2N3O2/c21-16-13-15(4-5-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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 0.0650n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433477
PNG
(US10562853, Compound 3)
Show SMILES CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C23H26Cl2FN3O3/c1-16(30)28-18-3-2-4-19(14-18)32-12-9-27-15-23(26)7-10-29(11-8-23)22(31)17-5-6-20(24)21(25)13-17/h2-6,13-14,27H,7-12,15H2,1H3,(H,28,30)
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 0.0730n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433508
PNG
(US10562853, Compound 26)
Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C21H25ClF2N4O2/c1-25-18-3-2-4-19(27-18)30-12-9-26-14-21(24)7-10-28(11-8-21)20(29)15-5-6-17(23)16(22)13-15/h2-6,13,26H,7-12,14H2,1H3,(H,25,27)
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NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433509
PNG
(US10562853, Compound 27)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C22H27ClF2N4O2/c1-28(2)19-4-3-5-20(27-19)31-13-10-26-15-22(25)8-11-29(12-9-22)21(30)16-6-7-18(24)17(23)14-16/h3-7,14,26H,8-13,15H2,1-2H3
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NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433476
PNG
(US10562853, Compound 2)
Show SMILES CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H26ClF2N3O3/c1-16(30)28-18-3-2-4-19(14-18)32-12-9-27-15-23(26)7-10-29(11-8-23)22(31)17-5-6-21(25)20(24)13-17/h2-6,13-14,27H,7-12,15H2,1H3,(H,28,30)
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 0.0830n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50041043
PNG
((1-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-19-11-13-21-43-31)39(51)45-33(23-29-15-7-5-8-16-29)37(49)38(50)34(24-30-17-9-6-10-18-30)46-40(52)36(28(3)4)48-42(54)56-26-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35?,36?,37-,38+/m0/s1
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 0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against HIV-1 protease

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433546
PNG
(US10562853, Compound 68)
Show SMILES COc1ccnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C21H24ClF2N3O3/c1-29-16-4-7-26-19(13-16)30-11-8-25-14-21(24)5-9-27(10-6-21)20(28)15-2-3-18(23)17(22)12-15/h2-4,7,12-13,25H,5-6,8-11,14H2,1H3
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 0.0900n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433523
PNG
(US10562853, Compound 44)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C23H24ClF2N3O2/c24-18-14-16(4-5-19(18)25)22(30)29-11-7-23(26,8-12-29)15-27-10-13-31-21-3-1-2-20-17(21)6-9-28-20/h1-6,9,14,27-28H,7-8,10-13,15H2
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US Patent
 0.100n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433526
PNG
(US10562853, Compound 47)
Show SMILES NC(=O)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H24ClF2N3O3/c23-18-13-16(4-5-19(18)24)21(30)28-9-6-22(25,7-10-28)14-27-8-11-31-17-3-1-2-15(12-17)20(26)29/h1-5,12-13,27H,6-11,14H2,(H2,26,29)
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 0.100n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50041045
PNG
((4S,6S)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-te...)
Show SMILES CCC[C@H]1C[C@H](NCC)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H20N2O4S3/c1-3-5-8-6-10(14-4-2)9-7-11(21(13,17)18)19-12(9)20(8,15)16/h7-8,10,14H,3-6H2,1-2H3,(H2,13,17,18)/t8-,10-/m0/s1
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 0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM197
PNG
((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against HIV-1 protease

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433499
PNG
(US10562853, Compound 16)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3cccnc23)CC1
Show InChI InChI=1S/C24H24ClF2N3O2/c25-19-15-18(6-7-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2
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 0.150n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50041023
PNG
((1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-19-11-13-21-43-31)39(51)45-33(23-29-15-7-5-8-16-29)37(49)38(50)34(24-30-17-9-6-10-18-30)46-40(52)36(28(3)4)48-42(54)56-26-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35?,36?,37-,38-/m0/s1
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 0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against HIV-1 protease

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50041037
PNG
((4S,6R)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-te...)
Show SMILES CCC[C@@H]1C[C@H](NCC)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H20N2O4S3/c1-3-5-8-6-10(14-4-2)9-7-11(21(13,17)18)19-12(9)20(8,15)16/h7-8,10,14H,3-6H2,1-2H3,(H2,13,17,18)/t8-,10+/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50041035
PNG
(CHEMBL269401 | N-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihyd...)
Show SMILES CC(C)C(NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37?,38?,39+,40+/m0/s1
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 0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against HIV-1 protease

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433494
PNG
(US10562853, Compound 14)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H25ClF2N2O4/c24-17-14-16(4-5-18(17)25)22(29)28-9-6-23(26,7-10-28)15-27-8-11-30-19-2-1-3-20-21(19)32-13-12-31-20/h1-5,14,27H,6-13,15H2
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 0.180n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50041032
PNG
((1-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Show SMILES CC(C)C(NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccn1)C(C)C
Show InChI InChI=1S/C42H52N6O8/c1-27(2)35(47-41(53)55-25-31-19-11-13-21-43-31)39(51)45-33(23-29-15-7-5-8-16-29)37(49)38(50)34(24-30-17-9-6-10-18-30)46-40(52)36(28(3)4)48-42(54)56-26-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35?,36?,37+,38+/m0/s1
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 0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against HIV-1 protease

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433552
PNG
(US10562853, Compound 72)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)n2)CC1
Show InChI InChI=1S/C20H21Cl2F2N3O2/c21-15-12-14(4-5-16(15)23)19(28)27-9-6-20(24,7-10-27)13-25-8-11-29-18-3-1-2-17(22)26-18/h1-5,12,25H,6-11,13H2
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433495
PNG
(US10562853, Compound 15)
Show SMILES FC1(CNCCOc2cccc3OCCOc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2FN2O4/c24-17-5-4-16(14-18(17)25)22(29)28-9-6-23(26,7-10-28)15-27-8-11-30-19-2-1-3-20-21(19)32-13-12-31-20/h1-5,14,27H,6-13,15H2
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433539
PNG
(US10562853, Compound 62)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2Cl)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c22-16-3-1-2-4-19(16)29-12-9-26-14-21(25)7-10-27(11-8-21)20(28)15-5-6-18(24)17(23)13-15/h1-6,13,26H,7-12,14H2
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433527
PNG
(US10562853, Compound 48)
Show SMILES NC(=O)c1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H24ClF2N3O3/c23-17-13-15(5-6-18(17)24)21(30)28-10-7-22(25,8-11-28)14-27-9-12-31-19-4-2-1-3-16(19)20(26)29/h1-6,13,27H,7-12,14H2,(H2,26,29)
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433554
PNG
(US10562853, Compound 74)
Show SMILES FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2FN3O2/c21-16-5-4-15(13-17(16)22)19(27)26-10-6-20(23,7-11-26)14-24-9-12-28-18-3-1-2-8-25-18/h1-5,8,13,24H,6-7,9-12,14H2
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433524
PNG
(US10562853, Compound 45)
Show SMILES CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C23H28ClF2N3O2/c1-28(2)18-4-3-5-19(15-18)31-13-10-27-16-23(26)8-11-29(12-9-23)22(30)17-6-7-21(25)20(24)14-17/h3-7,14-15,27H,8-13,16H2,1-2H3
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433531
PNG
(US10562853, Compound 52)
Show SMILES CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-17-3-2-4-18(14-17)30-12-9-27-15-22(25)7-10-28(11-8-22)21(29)16-5-6-20(24)19(23)13-16/h2-6,13-14,26-27H,7-12,15H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433548
PNG
(US10562853, Compound 69)
Show SMILES Fc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H21ClF3N3O2/c21-16-11-14(1-3-17(16)23)19(28)27-8-5-20(24,6-9-27)13-25-7-10-29-18-4-2-15(22)12-26-18/h1-4,11-12,25H,5-10,13H2
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 0.25n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433507
PNG
(US10562853, Compound 25)
Show SMILES Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C20H21ClF3N3O2/c21-15-12-14(4-5-16(15)22)19(28)27-9-6-20(24,7-10-27)13-25-8-11-29-18-3-1-2-17(23)26-18/h1-5,12,25H,6-11,13H2
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 0.280n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50041027
PNG
((4S,6S)-6-Ethyl-4-ethylamino-7,7-dioxo-4,5,6,7-tet...)
Show SMILES CCN[C@H]1C[C@H](CC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H18N2O4S3/c1-3-7-5-9(13-4-2)8-6-10(20(12,16)17)18-11(8)19(7,14)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,16,17)/t7-,9-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433525
PNG
(US10562853, Compound 46)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H22ClF5N2O2/c23-18-12-15(4-5-19(18)24)20(31)30-9-6-21(25,7-10-30)14-29-8-11-32-17-3-1-2-16(13-17)22(26,27)28/h1-5,12-13,29H,6-11,14H2
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US Patent
 0.300n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433538
PNG
(US10562853, Compound 61)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2F)CC1
Show InChI InChI=1S/C21H22ClF3N2O2/c22-16-13-15(5-6-17(16)23)20(28)27-10-7-21(25,8-11-27)14-26-9-12-29-19-4-2-1-3-18(19)24/h1-6,13,26H,7-12,14H2
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 0.300n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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PubMed
 0.370n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)

J Med Chem 37: 1035-54 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1XWX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433482
PNG
(US10562853, Compound 7)
Show SMILES COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2FN2O3/c1-29-19-4-2-3-5-20(19)30-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-17(23)18(24)14-16/h2-7,14,26H,8-13,15H2,1H3
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 0.380n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433528
PNG
(US10562853, Compound 51)
Show SMILES CNc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H26ClF2N3O2/c1-26-19-4-2-3-5-20(19)30-13-10-27-15-22(25)8-11-28(12-9-22)21(29)16-6-7-18(24)17(23)14-16/h2-7,14,26-27H,8-13,15H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433505
PNG
(US10562853, Compound 23)
Show SMILES COc1cccnc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H24ClF2N3O3/c1-29-18-3-2-8-26-19(18)30-12-9-25-14-21(24)6-10-27(11-7-21)20(28)15-4-5-17(23)16(22)13-15/h2-5,8,13,25H,6-7,9-12,14H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50328639
PNG
((3-Chloro-4-fluoro-phenyl)-(4-fluoro-4-{[(5-methyl...)
Show SMILES Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show InChI InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433500
PNG
(US10562853, Compound 17)
Show SMILES FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O2/c25-19-7-6-18(15-20(19)26)23(31)30-12-8-24(27,9-13-30)16-28-11-14-32-21-5-1-3-17-4-2-10-29-22(17)21/h1-7,10,15,28H,8-9,11-14,16H2
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 0.450n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433536
PNG
(US10562853, Compound 59)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H25ClF2N2O/c23-19-15-18(8-9-20(19)24)21(28)27-13-10-22(25,11-14-27)16-26-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,26H,4,7,10-14,16H2
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Article
PubMed
 0.479n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 sc...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b00062
BindingDB Entry DOI: 10.7270/Q23F4T9H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433492
PNG
(US10562853, Compound 13)
Show SMILES CSc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2FN2O2S/c1-30-20-5-3-2-4-19(20)29-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-6-7-17(23)18(24)14-16/h2-7,14,26H,8-13,15H2,1H3
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 0.5n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
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