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Compile Data Set for Download or QSAR

Found 353 hits from CoCensys, Inc.   
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
GABA A Alpha4Beta2Gamma2


(HUMAN)
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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2.62n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(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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6.80n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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11.7n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(HUMAN)
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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14.1n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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17.5n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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20n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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21n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(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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35.6n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA(A) receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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41n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(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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43.8n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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51n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(HUMAN)
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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53.5n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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54.9n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(RAT)
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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96n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
BDBM81951
PNG
(CAS_104999 | DMCM | NSC_104999)
Show SMILES CCc1c(ncc2[nH]c3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
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153n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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174n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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200n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA(A) receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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200n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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210n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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270n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(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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285n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(HUMAN)
BDBM84955
PNG
(CAS_4375 | FG 7142 | NSC_4375)
Show SMILES CNC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
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300n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(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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310n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(HUMAN)
BDBM84955
PNG
(CAS_4375 | FG 7142 | NSC_4375)
Show SMILES CNC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
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2.51E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(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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3.26E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(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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4.46E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 5.30n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
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n/an/a 6.10n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091636
PNG
(5-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22FN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 8.20n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50369783
PNG
(CHEMBL1203902)
Show SMILES Oc1ccc(cc1)C1=CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13,23H,4-5,8,14-17H2
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n/an/a 11n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085922
PNG
(4-(4-Hydroxy-phenyl)-1-(4-phenyl-butyl)-piperidin-...)
Show SMILES Oc1ccc(cc1)C1(O)CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c23-20-11-9-19(10-12-20)21(24)13-16-22(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,23-24H,4-5,8,13-17H2
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n/an/a 12n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091647
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-di...)
Show SMILES S=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3S/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 16n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091632
PNG
(5-{3-[4-(4-Methyl-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C23H25N3O/c1-17-4-6-19(7-5-17)15-20-10-13-26(14-11-20)12-2-3-18-8-9-21-22(16-18)25-23(27)24-21/h4-9,16,20H,10-15H2,1H3,(H2,24,25,27)
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n/an/a 17n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085933
PNG
(4-[1-(5-Phenyl-pentyl)-pyrrolidin-3-yl]-phenol | C...)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCCc2ccccc2)C1
Show InChI InChI=1S/C21H27NO/c23-21-12-10-19(11-13-21)20-14-16-22(17-20)15-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,20,23H,2,5-6,9,14-17H2
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n/an/a 17n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50369786
PNG
(CHEMBL1201889)
Show SMILES Oc1ccc(cc1)C1CCN(CCOCc2ccccc2)CC1
Show InChI InChI=1S/C20H25NO2/c22-20-8-6-18(7-9-20)19-10-12-21(13-11-19)14-15-23-16-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091626
PNG
(5-[3-(4-Benzyl-4-hydroxy-piperidin-1-yl)-prop-1-yn...)
Show SMILES OC1(Cc2ccccc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091643
PNG
(5-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Clc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22ClN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085927
PNG
(4-[1-(2-Hydroxy-4-phenyl-butyl)-piperidin-4-yl]-ph...)
Show SMILES OC(CCc1ccccc1)CN1CCC(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-10-7-18(8-11-20)19-12-14-22(15-13-19)16-21(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,19,21,23-24H,6,9,12-16H2
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50369791
PNG
(CHEMBL1202296)
Show SMILES Oc1ccc(cc1)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO/c23-21-11-9-19(10-12-21)20-13-16-22(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,23H,4-5,8,13-17H2
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n/an/a 22n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50091629
PNG
(5-{3-[4-(4-Fluoro-benzyl)-4-hydroxy-piperidin-1-yl...)
Show SMILES OC1(Cc2ccc(F)cc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H22FN3O2/c23-18-6-3-17(4-7-18)15-22(28)9-12-26(13-10-22)11-1-2-16-5-8-19-20(14-16)25-21(27)24-19/h3-8,14,28H,9-13,15H2,(H2,24,25,27)
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n/an/a 24n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50079386
PNG
(4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol | 4-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
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n/an/a 25n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
NMDA receptor subunit 3A-1 (GluN3A)


(Rattus norvegicus (Rat))
BDBM50079386
PNG
(4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol | 4-...)
Show SMILES Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
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n/an/a 25n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of NMDA responses at NR1A/2B receptor expressed in Xenopus oocytes


J Med Chem 43: 1892-7 (2000)


Article DOI: 10.1021/jm990537r
BindingDB Entry DOI: 10.7270/Q2V40TFH
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50085929
PNG
(4-(4-Hydroxy-phenyl)-1-(2-hydroxy-4-phenyl-butyl)-...)
Show SMILES OC(CCc1ccccc1)CN1CCC(O)(CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c23-19-10-7-18(8-11-19)21(25)12-14-22(15-13-21)16-20(24)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-11,20,23-25H,6,9,12-16H2
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n/an/a 26n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.


J Med Chem 43: 984-94 (2000)


Article DOI: 10.1021/jm990428c
BindingDB Entry DOI: 10.7270/Q20G3KVT
More data for this
Ligand-Target Pair
NMDA


()
BDBM50091628
PNG
(5-{3-[4-(4-Methoxy-benzyl)-piperidin-1-yl]-prop-1-...)
Show SMILES COc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C23H25N3O2/c1-28-20-7-4-18(5-8-20)15-19-10-13-26(14-11-19)12-2-3-17-6-9-21-22(16-17)25-23(27)24-21/h4-9,16,19H,10-15H2,1H3,(H2,24,25,27)
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n/an/a 26n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


Article DOI: 10.1021/jm000023o
BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50079389
PNG
(4-{2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-ethoxy}-...)
Show SMILES Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO2/c1-17-2-4-18(5-3-17)16-19-10-12-22(13-11-19)14-15-24-21-8-6-20(23)7-9-21/h2-9,19,23H,10-16H2,1H3
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n/an/a 28n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50079385
PNG
(1-[2-(4-Hydroxy-phenoxy)-ethyl]-4-(4-methyl-benzyl...)
Show SMILES Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
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n/an/a 43n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes


J Med Chem 42: 2993-3000 (1999)


Article DOI: 10.1021/jm990246i
BindingDB Entry DOI: 10.7270/Q2RX9B8W
More data for this
Ligand-Target Pair
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