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Compile Data Set for Download or QSAR

Found 22 hits of kd data for polymerid = 49000543,50001801,5521   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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n/an/an/a 0.100n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/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/an/a 0.300n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244033
PNG
(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)
Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C
Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244036
PNG
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244034
PNG
(3-ethoxy-9H-pyrido[3,4-b]indole | CHEMBL498936)
Show SMILES CCOc1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3
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n/an/an/a 1.20n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244073
PNG
(CHEMBL454866 | ethyl 7-fluoro-4-methyl-5-oxo-1,3a,...)
Show SMILES CCOC(=O)C1=C2N(CN1)c1ccc(F)cc1C(=O)N2C
Show InChI InChI=1S/C14H14FN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-6,16H,3,7H2,1-2H3
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n/an/an/a 2n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244074
PNG
(CHEMBL510658 | ethyl 7-azido-4-methyl-5-oxo-4,5-di...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)N=[N+]=[N-]
Show InChI InChI=1S/C14H12N6O3/c1-3-23-14(22)11-12-19(2)13(21)9-6-8(17-18-15)4-5-10(9)20(12)7-16-11/h4-7H,3H2,1-2H3
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n/an/an/a 3.30n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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n/an/an/a 4.5n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244037
PNG
(3-propoxy-9H-pyrido[3,4-b]indole | CHEMBL499814)
Show SMILES CCCOc1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3
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n/an/an/a 5n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243982
PNG
(CHEMBL453324 | ethyl 4-ethyl-6,7-dimethoxy-9H-pyri...)
Show SMILES CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC
Show InChI InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,20H,5-6H2,1-4H3
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n/an/an/a 8n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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n/an/an/a 8.30n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244072
PNG
(8-Ethyl-5-methyl-6-oxo-3a,4,5,6-tetrahydro-1H-2,5,...)
Show SMILES CCOC(=O)C1=NCN2C1CN(C)C(=O)c1cc(CC)ccc21
Show InChI InChI=1S/C17H21N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h6-8,14H,4-5,9-10H2,1-3H3
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n/an/an/a 20.4n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/an/a 36n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50083894
PNG
(7-Ethynyl-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#C
Show InChI InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3
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n/an/an/a 76n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50067419
PNG
(CHEMBL130416 | RY-066 | ethyl 9-oxo-7-(2-trimethyl...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C
Show InChI InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3/t17-/m0/s1
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n/an/an/a 83n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244119
PNG
(CHEMBL461716 | ethyl 4-methyl-5-oxo-7-(2-(trimethy...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C[Si](C)(C)C
Show InChI InChI=1S/C19H21N3O3Si/c1-6-25-19(24)16-17-21(2)18(23)14-11-13(9-10-26(3,4)5)7-8-15(14)22(17)12-20-16/h7-8,11-12H,6H2,1-5H3
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n/an/an/a 121n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244120
PNG
(CHEMBL461717 | tert-butyl 4-methyl-5-oxo-7-(2-(tri...)
Show SMILES Cn1c2c(ncn2c2ccc(cc2c1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H25N3O3Si/c1-21(2,3)27-20(26)17-18-23(4)19(25)15-12-14(10-11-28(5,6)7)8-9-16(15)24(18)13-22-17/h8-9,12-13H,1-7H3
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n/an/an/a 197n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50244118
PNG
(CHEMBL518197 | ethyl 12-oxo-15-[2-(trimethylsilyl)...)
Show SMILES CCOC(=O)c1ncn-2c1C1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C
Show InChI InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3
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n/an/an/a 200n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50242613
PNG
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S
Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3
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n/an/an/a 878n/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat GABAA alpha1beta2gamma2 receptor expressed in HEK293 cells after 1 hr assessed as residual binding by liquid s...


J Biol Chem 282: 26316-25 (2007)

More data for this
Ligand-Target Pair