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Compile Data Set for Download or QSAR

Found 565 hits with Last Name = 'haudecoeur' 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
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608949
PNG
(CHEMBL5270056)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(C)c(C)ccc32)c(Br)c1OC
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0.0800n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608952
PNG
(CHEMBL5279881)
Show SMILES CCc1cccc2[nH]c3C(Cc4ccc(OC)c(OC)c4)NCCc3c12
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608953
PNG
(CHEMBL5284094)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cccc(C)c32)cc1OC
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608950
PNG
(CHEMBL5280131)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cccc(I)c32)cc1OC
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608951
PNG
(CHEMBL5277645)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cccc(SC)c32)cc1OC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608941
PNG
(CHEMBL5280240)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50407853
PNG
(CHEMBL94644)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC
Show InChI InChI=1S/C21H23BrN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM85862
PNG
(1-(2-Chloro-3,4-dimethoxybenzyl)-6-methyl-2,3,4,9-...)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccc(C)cc32)c(Cl)c1OC
Show InChI InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50407849
PNG
(CHEMBL96480)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC
Show InChI InChI=1S/C22H26N2O2/c1-13-9-17-16-7-8-23-19(22(16)24-18(17)10-14(13)2)11-15-5-6-20(25-3)21(12-15)26-4/h5-6,9-10,12,19,23-24H,7-8,11H2,1-4H3
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608955
PNG
(CHEMBL96427)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(C)cc(C)cc32)cc1OC
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608956
PNG
(CHEMBL94655)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2c(F)cc(F)cc32)cc1OC
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Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)
BDBM50608954
PNG
(CHEMBL329479)
Show SMILES C(C1NCCc2c1[nH]c1ccccc21)c1cccc2ccccc12
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608939
PNG
(CHEMBL5266498)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(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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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50608941
PNG
(CHEMBL5280240)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50608942
PNG
(CHEMBL5290579)
Show SMILES CCc1c(nc(C)c2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50329657
PNG
(6-Ethynl-9H-beta-carboline-3-carboxylic acid t-but...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C
Show InChI InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3
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Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1


(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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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(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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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-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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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50608941
PNG
(CHEMBL5280240)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608940
PNG
(CHEMBL5290464)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(O)cc3c2c1COC
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608936
PNG
(CHEMBL510764)
Show SMILES CCCC(=O)c1cc2c(cn1)[nH]c1ccccc21
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(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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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608946
PNG
(CHEMBL2008708)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4cccnc4[nH]c3c21
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Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608945
PNG
(CHEMBL497197)
Show SMILES COc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c12
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Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50407849
PNG
(CHEMBL96480)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC
Show InChI InChI=1S/C22H26N2O2/c1-13-9-17-16-7-8-23-19(22(16)24-18(17)10-14(13)2)11-15-5-6-20(25-3)21(12-15)26-4/h5-6,9-10,12,19,23-24H,7-8,11H2,1-4H3
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50608943
PNG
(CHEMBL5275690)
Show SMILES CCOC(=O)c1nc(C)c2[nH]c3cc(OC)c(OC)cc3c2c1CC
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More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608947
PNG
(CHEMBL5281056)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccncc4[nH]c3c21
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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50608939
PNG
(CHEMBL5266498)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM85039
PNG
(CAS_121926 | NSC_121926 | ZK 93423)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
Show InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(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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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608944
PNG
(CHEMBL496990)
Show SMILES Clc1ccc2c(c1)[nH]c1c2ncc2[nH]c3ccccc3c12
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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM85039
PNG
(CAS_121926 | NSC_121926 | ZK 93423)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
Show InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
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More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50125136
PNG
(2-[2,3']Bipyridinyl-6'-yl-1-(2,3-dihydro-benzofura...)
Show SMILES C1Cc2cc(ccc2O1)C1N(CCc2c1[nH]c1ccccc21)c1ccc(cn1)-c1ccccn1
Show InChI InChI=1S/C29H24N4O/c1-2-7-25-22(5-1)23-12-15-33(27-11-9-21(18-31-27)24-6-3-4-14-30-24)29(28(23)32-25)20-8-10-26-19(17-20)13-16-34-26/h1-11,14,17-18,29,32H,12-13,15-16H2
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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50608942
PNG
(CHEMBL5290579)
Show SMILES CCc1c(nc(C)c2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50608941
PNG
(CHEMBL5280240)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50608943
PNG
(CHEMBL5275690)
Show SMILES CCOC(=O)c1nc(C)c2[nH]c3cc(OC)c(OC)cc3c2c1CC
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608938
PNG
(CHEMBL5290746)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50608937
PNG
(CHEMBL2262044)
Show SMILES S=C=Nc1cc2c(cn1)[nH]c1ccccc21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(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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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50608939
PNG
(CHEMBL5266498)
Show SMILES CCOC(=O)c1ncc2[nH]c3ccccc3c2c1COC
PDB

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5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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