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Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: A0A024R9X6   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337263
PNG
(3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...)
Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM84957
PNG
(CGS 9896 | CHEMBL20042)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337271
PNG
(2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...)
Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2
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n/an/a 57n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337270
PNG
(2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...)
Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2
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n/an/a 154n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337264
PNG
(2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...)
Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2
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n/an/a 155n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337269
PNG
(3-(4-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)
Show SMILES Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2
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n/an/a 177n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337275
PNG
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...)
Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1
Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2
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n/an/a 185n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337268
PNG
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...)
Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3
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n/an/a 213n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337274
PNG
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...)
Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2
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n/an/a 265n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337265
PNG
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...)
Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2
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n/an/a 271n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337267
PNG
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2,6,7,9-t...)
Show SMILES Clc1ccc(cc1)-n1nc2c3COCCc3ncc2c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2N3O2/c23-15-5-7-16(8-6-15)27-22(29-12-14-3-1-2-4-19(14)24)17-11-25-20-9-10-28-13-18(20)21(17)26-27/h1-8,11H,9-10,12-13H2
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n/an/a 461n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337272
PNG
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...)
Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1
Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2
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n/an/a 472n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337266
PNG
(3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2,6,7,8,9...)
Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCCc3ncc2c1OCc1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2
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n/an/a 605n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337277
PNG
(2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-8-(1H-im...)
Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1
Show InChI InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2
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n/an/a 2.11E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50337276
PNG
(3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tet...)
Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1Oc1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells


Bioorg Med Chem Lett 21: 1523-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.107
BindingDB Entry DOI: 10.7270/Q289164V
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454541
PNG
(CHEMBL4210493)
Show SMILES NC(=N)NCc1cnn(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)n1
Show InChI InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-22-27(25-7)5-9-11(13(30)28(9)38(33,34)35)24-12(29)10(8-6-37-16(20)23-8)26-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,23)(H,24,29)(H,31,32)(H4,18,19,21)(H,33,34,35)/b26-10-/t9-,11+/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454543
PNG
(CHEMBL4217850)
Show SMILES NC(=N)NCc1cn(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)nn1
Show InChI InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-27(26-24-7)5-9-11(13(30)28(9)38(33,34)35)23-12(29)10(8-6-37-16(20)22-8)25-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,22)(H,23,29)(H,31,32)(H4,18,19,21)(H,33,34,35)/b25-10-/t9-,11+/m1/s1
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n/an/a 8.90E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454540
PNG
(CHEMBL4213450)
Show SMILES NC[C@@H]1CN(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)C(=O)O1
Show InChI InChI=1S/C17H21N7O10S2/c18-3-7-4-23(16(29)33-7)5-9-11(13(26)24(9)36(30,31)32)21-12(25)10(8-6-35-15(19)20-8)22-34-17(1-2-17)14(27)28/h6-7,9,11H,1-5,18H2,(H2,19,20)(H,21,25)(H,27,28)(H,30,31,32)/b22-10-/t7-,9-,11+/m1/s1
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n/an/a 1.34E+6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454542
PNG
(CHEMBL4206129)
Show SMILES Nc1nc(cs1)C(=N\OC1(CC1)C(O)=O)\C(=O)N[C@H]1[C@@H](CN2CCOC2=O)N(C1=O)S(O)(=O)=O
Show InChI InChI=1S/C16H18N6O10S2/c17-14-18-7(6-33-14)9(20-32-16(1-2-16)13(25)26)11(23)19-10-8(5-21-3-4-31-15(21)27)22(12(10)24)34(28,29)30/h6,8,10H,1-5H2,(H2,17,18)(H,19,23)(H,25,26)(H,28,29,30)/b20-9-/t8-,10+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.40E+6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair