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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'GABA B' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
GABA B


(RAT)
BDBM86283
PNG
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)
Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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PubMed
2.75n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM24184
PNG
((3-aminopropyl)phosphinic acid | 3-aminopropylphos...)
Show SMILES NCCCP(O)=O
Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
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5n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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16n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM86283
PNG
(CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...)
Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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32.4n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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33n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50032962
PNG
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES NCCCP(=O)=O
Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
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280n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50032973
PNG
(((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...)
Show SMILES CP(O)(=O)CCC=N
Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
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650n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50032962
PNG
(((Z)-3-Amino-propenyl)-phosphinic acid | CGP38593 ...)
Show SMILES NCCCP(=O)=O
Show InChI InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2
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4.40E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 83-97 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 83-97 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Br J Pharmacol 111: 332-8 (1994)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Synthélabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 83-97 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of North Carolina

Curated by PDSP Ki Database




J Pharmacol Exp Ther 262: 383-93 (1992)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50164447
PNG
(2-amino-4-sulfobutanoic acid | CHEMBL191727 | DL-h...)
Show SMILES NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50010588
PNG
((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...)
Show SMILES CNC(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM86057
PNG
(CAS_62865 | Cyamemazine | NSC_62865)
Show SMILES CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by PDSP Ki Database




Biochem Pharmacol 65: 435-40 (2003)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50032973
PNG
(((Z)-3-Amino-propenyl)-methyl-phosphinic acid | 3-...)
Show SMILES CP(O)(=O)CCC=N
Show InChI InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B


(RAT)
BDBM50032982
PNG
((3-Amino-propyl)-butyl-phosphinic acid | 3-aminopr...)
Show SMILES CCCCP(O)(=O)CCCN
Show InChI InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Sydney

Curated by PDSP Ki Database




Eur J Pharmacol 329: 223-9 (1997)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM24184
PNG
((3-aminopropyl)phosphinic acid | 3-aminopropylphos...)
Show SMILES NCCCP(O)=O
Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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n/an/a 16n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033007
PNG
((3-Amino-propyl)-(3-oxo-butyl)-phosphinic acid | C...)
Show SMILES CC(=O)CCP(O)(=O)CCCN
Show InChI InChI=1S/C7H16NO3P/c1-7(9)3-6-12(10,11)5-2-4-8/h2-6,8H2,1H3,(H,10,11)
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n/an/a 1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033008
PNG
((3-Amino-propyl)-[3-(2-carbamoyl-benzoylamino)-2-h...)
Show SMILES NCCCP(O)(O)CC(=O)CNC(=O)c1ccccc1C(N)=O
Show InChI InChI=1S/C14H22N3O5P/c15-6-3-7-23(21,22)9-10(18)8-17-14(20)12-5-2-1-4-11(12)13(16)19/h1-2,4-5,21-23H,3,6-9,15H2,(H2,16,19)(H,17,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033024
PNG
((3-Amino-propyl)-(2-cyclohexyl-ethyl)-phosphinic a...)
Show SMILES NCCCP(O)(=O)CCC1CCCCC1
Show InChI InChI=1S/C11H24NO2P/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11/h11H,1-10,12H2,(H,13,14)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032996
PNG
((3-Amino-propyl)-[2-(tetrahydro-pyran-2-yl)-ethyl]...)
Show SMILES NCCCP(O)(=O)CCC1CCCCO1
Show InChI InChI=1S/C10H22NO3P/c11-6-3-8-15(12,13)9-5-10-4-1-2-7-14-10/h10H,1-9,11H2,(H,12,13)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032972
PNG
((3-Amino-propyl)-ethyl-phosphinic acid | CGP-36216...)
Show SMILES CCP(O)(=O)CCCN
Show InChI InChI=1S/C5H14NO2P/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3,(H,7,8)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033017
PNG
((3-Amino-propyl)-cyclohexylmethyl-phosphinic acid ...)
Show SMILES NCCCP(O)(O)C=C1CCCCC1
Show InChI InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h9,12-14H,1-8,11H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032989
PNG
(((S)-3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-ph...)
Show SMILES NCC(=O)CP(O)(O)CC1CCCCC1
Show InChI InChI=1S/C10H22NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h9,13-15H,1-8,11H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033014
PNG
(((R)-3-Amino-2-hydroxy-propyl)-benzyl-phosphinic a...)
Show SMILES NCC(=O)CP(O)(O)Cc1ccccc1
Show InChI InChI=1S/C10H16NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h1-5,13-15H,6-8,11H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032989
PNG
(((S)-3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-ph...)
Show SMILES NCC(=O)CP(O)(O)CC1CCCCC1
Show InChI InChI=1S/C10H22NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h9,13-15H,1-8,11H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032987
PNG
((3-Amino-propyl)-pyridin-2-ylmethyl-phosphinic aci...)
Show SMILES NCCCP(O)(=O)Cc1ccccn1
Show InChI InChI=1S/C9H15N2O2P/c10-5-3-7-14(12,13)8-9-4-1-2-6-11-9/h1-2,4,6H,3,5,7-8,10H2,(H,12,13)
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CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032984
PNG
(CHEMBL113305 | [3-Amino-2-(4-chloro-phenyl)-2-hydr...)
Show SMILES CP(O)(=O)CC(O)(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H15ClNO3P/c1-16(14,15)7-10(13,6-12)8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15)
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n/an/a 6.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50032989
PNG
(((S)-3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-ph...)
Show SMILES NCC(=O)CP(O)(O)CC1CCCCC1
Show InChI InChI=1S/C10H22NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h9,13-15H,1-8,11H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033004
PNG
(CHEMBL321688 | [3-Amino-2-(4-chloro-phenyl)-2-hydr...)
Show SMILES CCCCP(O)(=O)CC(O)(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H21ClNO3P/c1-2-3-8-19(17,18)10-13(16,9-15)11-4-6-12(14)7-5-11/h4-7,16H,2-3,8-10,15H2,1H3,(H,17,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033014
PNG
(((R)-3-Amino-2-hydroxy-propyl)-benzyl-phosphinic a...)
Show SMILES NCC(=O)CP(O)(O)Cc1ccccc1
Show InChI InChI=1S/C10H16NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h1-5,13-15H,6-8,11H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033016
PNG
((3-Amino-propyl)-(hydroxy-phenyl-methyl)-phosphini...)
Show SMILES NCCCP(O)(O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H16NO3P/c11-7-4-8-15(13,14)10(12)9-5-2-1-3-6-9/h1-3,5-6,13-15H,4,7-8,11H2
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CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033011
PNG
(CHEMBL114128 | [3-Amino-2-(4-chloro-phenyl)-propyl...)
Show SMILES CP(O)(=O)CC(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H15ClNO2P/c1-15(13,14)7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9H,6-7,12H2,1H3,(H,13,14)
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n/an/a 9.00E+3n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033018
PNG
((3-Amino-propyl)-benzyl-phosphinic acid | CHEMBL11...)
Show SMILES NCCCP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C10H16NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2,(H,12,13)
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n/an/a 1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50033029
PNG
((3-Amino-propyl)-phenethyl-phosphinic acid | CHEMB...)
Show SMILES NCCCP(O)(=O)CCc1ccccc1
Show InChI InChI=1S/C11H18NO2P/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,12H2,(H,13,14)
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CIBA-GEIGY AG

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex.


J Med Chem 38: 3313-31 (1995)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50095533
PNG
(4-(naphthalen-2-ylmethyl)-5-(piperidin-4-yl)isoxaz...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113812
PNG
(4-Benzhydryl-5-piperidin-4-yl-isoxazol-3-ol; hydro...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c24-21-19(20(25-23-21)17-11-13-22-14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2,(H,23,24)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113815
PNG
(4-(2-Naphthalen-1-yl-ethyl)-5-piperidin-4-yl-isoxa...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1cccc2ccccc12
Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-10-12-21-13-11-16)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16,21H,8-13H2,(H,22,23)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113817
PNG
(4-(2-Naphthalen-2-yl-ethyl)-5-piperidin-4-yl-isoxa...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50000687
PNG
(2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113810
PNG
(4-Naphthalen-1-ylmethyl-5-piperidin-4-yl-isoxazol-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1cccc2ccccc12
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)14-8-10-20-11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,14,20H,8-12H2,(H,21,22)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113804
PNG
(4-Anthracen-9-ylmethyl-5-piperidin-4-yl-isoxazol-3...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C23H22N2O2/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13,15,24H,9-12,14H2,(H,25,26)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM50113813
PNG
(4-Biphenyl-4-ylmethyl-5-piperidin-4-yl-isoxazol-3-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c24-21-19(20(25-23-21)18-10-12-22-13-11-18)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18,22H,10-14H2,(H,23,24)
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes


J Med Chem 45: 2454-68 (2002)

More data for this
Ligand-Target Pair
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