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Compile Data Set for Download or QSAR

Found 73 hits of ic50 data for polymerid = 49000525,49000526   
Target/Host
(Institution)
LigandTarget/Host
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
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (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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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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (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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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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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n/an/a 50n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033017
PNG
((3-Amino-propyl)-cyclohexylmethyl-phosphinic acid ...)
Show SMILES [#7]-[#6]-[#6]-[#6]P([#8])([#8])\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113824
PNG
(4-Phenethyl-5-piperidin-4-yl-isoxazol-3-ol; hydrob...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCc1ccccc1
Show InChI InChI=1S/C16H20N2O2/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13/h1-5,13,17H,6-11H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50113806
PNG
(4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2D21Z91
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032997
PNG
(((S)-3-Amino-2-hydroxy-propyl)-diethoxymethyl-phos...)
Show SMILES CCOC(OCC)P(O)(O)CC(=O)CN
Show InChI InChI=1S/C8H20NO5P/c1-3-13-8(14-4-2)15(11,12)6-7(10)5-9/h8,11-12,15H,3-6,9H2,1-2H3
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n/an/a 1.20E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032990
PNG
((3-Amino-propyl)-isobutyl-phosphinic acid | CHEMBL...)
Show SMILES CC(C)CP(O)(=O)CCCN
Show InChI InChI=1S/C7H18NO2P/c1-7(2)6-11(9,10)5-3-4-8/h7H,3-6,8H2,1-2H3,(H,9,10)
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n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032995
PNG
((3-Amino-2-oxo-propyl)-cyclopropylmethyl-phosphini...)
Show SMILES [#7]-[#6]-[#6](=O)-[#6]P([#8])([#8])\[#6]=[#6]-1\[#6]-[#6]-1
Show InChI InChI=1S/C7H14NO3P/c8-3-7(9)5-12(10,11)4-6-1-2-6/h4,10-12H,1-3,5,8H2
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n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032997
PNG
(((S)-3-Amino-2-hydroxy-propyl)-diethoxymethyl-phos...)
Show SMILES CCOC(OCC)P(O)(O)CC(=O)CN
Show InChI InChI=1S/C8H20NO5P/c1-3-13-8(14-4-2)15(11,12)6-7(10)5-9/h8,11-12,15H,3-6,9H2,1-2H3
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n/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033013
PNG
((3-Amino-propyl)-propyl-phosphinic acid | CHEMBL11...)
Show SMILES CCCP(O)(=O)CCCN
Show InChI InChI=1S/C6H16NO2P/c1-2-5-10(8,9)6-3-4-7/h2-7H2,1H3,(H,8,9)
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n/an/a 1.60E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033019
PNG
((3-Amino-propyl)-diisopropoxymethyl-phosphinic aci...)
Show SMILES CC(C)OC(OC(C)C)P(O)(=O)CCCN
Show InChI InChI=1S/C10H24NO4P/c1-8(2)14-10(15-9(3)4)16(12,13)7-5-6-11/h8-10H,5-7,11H2,1-4H3,(H,12,13)
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n/an/a 1.80E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032994
PNG
((3-Amino-propyl)-(1-hydroxy-butyl)-phosphinic acid...)
Show SMILES CCCC(=O)P(O)(O)CCCN
Show InChI InChI=1S/C7H18NO3P/c1-2-4-7(9)12(10,11)6-3-5-8/h10-12H,2-6,8H2,1H3
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n/an/a 1.80E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033027
PNG
((3-Amino-propyl)-hexyl-phosphinic acid | CHEMBL113...)
Show SMILES CCCCCCP(O)(=O)CCCN
Show InChI InChI=1S/C9H22NO2P/c1-2-3-4-5-8-13(11,12)9-6-7-10/h2-10H2,1H3,(H,11,12)
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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033021
PNG
((3-Amino-propyl)-dibutoxymethyl-phosphinic acid | ...)
Show SMILES CCCCOC(OCCCC)P(O)(=O)CCCN
Show InChI InChI=1S/C12H28NO4P/c1-3-5-9-16-12(17-10-6-4-2)18(14,15)11-7-8-13/h12H,3-11,13H2,1-2H3,(H,14,15)
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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033009
PNG
(CHEMBL114812 | [3-Amino-2-(4-chloro-phenyl)-propyl...)
Show SMILES CCOC(OCC)P(O)(=O)CC(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H23ClNO4P/c1-3-19-14(20-4-2)21(17,18)10-12(9-16)11-5-7-13(15)8-6-11/h5-8,12,14H,3-4,9-10,16H2,1-2H3,(H,17,18)
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n/an/a 2.10E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033012
PNG
((3-Amino-propyl)-(1,1-difluoro-butyl)-phosphinic a...)
Show SMILES CCCC(F)(F)P(O)(=O)CCCN
Show InChI InChI=1S/C7H16F2NO2P/c1-2-4-7(8,9)13(11,12)6-3-5-10/h2-6,10H2,1H3,(H,11,12)
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n/an/a 2.20E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033003
PNG
((3-Amino-propyl)-diethoxymethyl-phosphinic acid | ...)
Show SMILES CCOC(OCC)P(O)(=O)CCCN
Show InChI InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
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n/an/a 2.70E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032986
PNG
((3-Amino-propyl)-dipropoxymethyl-phosphinic acid |...)
Show SMILES CCCOC(OCCC)P(O)(=O)CCCN
Show InChI InChI=1S/C10H24NO4P/c1-3-7-14-10(15-8-4-2)16(12,13)9-5-6-11/h10H,3-9,11H2,1-2H3,(H,12,13)
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n/an/a 2.80E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032998
PNG
((3-Amino-2-hydroxy-propyl)-butyl-phosphinic acid |...)
Show SMILES CCCCP(O)(O)CC(=O)CN
Show InChI InChI=1S/C7H18NO3P/c1-2-3-4-12(10,11)6-7(9)5-8/h10-12H,2-6,8H2,1H3
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n/an/a 2.90E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032985
PNG
(Bis-(3-amino-propyl)-phosphinic acid | CHEMBL11229...)
Show SMILES NCCCP(O)(=O)CCCN
Show InChI InChI=1S/C6H17N2O2P/c7-3-1-5-11(9,10)6-2-4-8/h1-8H2,(H,9,10)
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n/an/a 2.90E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
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
PDB

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n/an/a 3.20E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033000
PNG
((3-Amino-propyl)-(tetrahydro-pyran-2-ylmethyl)-pho...)
Show SMILES NCCCP(O)(O)C=C1CCCCO1 |w:7.6|
Show InChI InChI=1S/C9H20NO3P/c10-5-3-7-14(11,12)8-9-4-1-2-6-13-9/h8,11-12,14H,1-7,10H2
PDB

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n/an/a 3.20E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50032992
PNG
((3-Amino-propyl)-(tetrahydro-furan-2-yl)-phosphini...)
Show SMILES NCCCP(O)(O)C1=CCCO1 |t:7|
Show InChI InChI=1S/C7H16NO3P/c8-4-2-6-12(9,10)7-3-1-5-11-7/h3,9-10,12H,1-2,4-6,8H2
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n/an/a 3.40E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50033028
PNG
((3-Amino-1-hydroxy-propyl)-butyl-phosphinic acid |...)
Show SMILES CCCCP(O)(O)C(=O)CCN
Show InChI InChI=1S/C7H18NO3P/c1-2-3-6-12(10,11)7(9)4-5-8/h10-12H,2-6,8H2,1H3
PDB

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n/an/a 3.70E+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)


BindingDB Entry DOI: 10.7270/Q2HD7TPZ
More data for this
Ligand-Target Pair
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