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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'lameh' and Initial = 'j'   
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 2A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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0.0300 -55.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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0.0460 -54.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.0830 -53.5n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86056
PNG
(CAS_156889 | NSC_156889 | Xorphanol)
Show SMILES CC1CC(=C)CC23CCN(CC4CCC4)C(Cc4ccc(O)cc24)C13 |THB:1:24:16.17.23:9.8.7,10:9:24:16.17.23,22:23:24:9.8.7|
Show InChI InChI=1S/C23H31NO/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3
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0.25n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.440 -49.6n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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0.5 -49.3n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
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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0.550 -49.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM85331
PNG
(CAS_115077 | NSC_115077 | WIN 44,441(-))
Show SMILES CN1CCC2(C)c3cc(O)ccc3CC1C2(C)CCC(=O)CCC1CCCC1 |TLB:16:15:3.2.1:13.12.6,THB:7:6:3.2.1:15,17:15:3.2.1:13.12.6,0:1:15:13.12.6|
Show InChI InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3
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0.990n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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1.15n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
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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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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1.60 -46.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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2.65n/an/an/an/an/an/an/an/a



Molecular Research Institute

Curated by PDSP Ki Database




BMC Pharmacol 3: 1 (2003)


Article DOI: 10.1186/1471-2210-3-1
BindingDB Entry DOI: 10.7270/Q2V123B6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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3.80 -44.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 0.0690n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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n/an/a 1n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
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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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
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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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
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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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414854
PNG
(CHEMBL574565)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(o1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4O/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414855
PNG
(CHEMBL573518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(s1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4S/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414855
PNG
(CHEMBL573518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(s1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4S/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414856
PNG
(CHEMBL573519)
Show SMILES [#6]-n1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-c1ccccc1C(F)(F)F |w:3.2|
Show InChI InChI=1S/C14H14F3N5/c1-22-9(8-20-21-13(18)19)6-7-12(22)10-4-2-3-5-11(10)14(15,16)17/h2-8H,1H3,(H4,18,19,21)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414854
PNG
(CHEMBL574565)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(o1)-c1ccccc1C(F)(F)F |w:5.5|
Show InChI InChI=1S/C13H11F3N4O/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18/h1-7H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414853
PNG
(CHEMBL572825)
Show SMILES [#6]-[#6](-[#6])-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:13.13|
Show InChI InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414853
PNG
(CHEMBL572825)
Show SMILES [#6]-[#6](-[#6])-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:13.13|
Show InChI InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414852
PNG
(CHEMBL573738)
Show SMILES [#6]-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:11.11|
Show InChI InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414852
PNG
(CHEMBL573738)
Show SMILES [#6]-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:11.11|
Show InChI InChI=1S/C13H14N4O/c1-9-4-2-3-5-11(9)12-7-6-10(18-12)8-16-17-13(14)15/h2-8H,1H3,(H4,14,15,17)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414851
PNG
(CHEMBL574353)
Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(c1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C10H10ClF3N4/c1-5(17-18-9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,1H3,(H4,15,16,18)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414850
PNG
(CHEMBL575058)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-c1ccccc1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
Show InChI InChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414850
PNG
(CHEMBL575058)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-c1ccccc1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
Show InChI InChI=1S/C14H12Cl2N4/c15-11-7-6-10(8-12(11)16)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,(H4,17,18,20)
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414849
PNG
(CHEMBL572766)
Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(Cl)c1 |w:2.2|
Show InChI InChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H4,12,13,15)
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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C9H8ClF3N4/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13/h1-4H,(H4,14,15,17)
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n/an/an/an/a>3.16E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50394978
PNG
(CHEMBL573297)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Br)c(Br)c1 |w:5.5|
Show InChI InChI=1S/C8H8Br2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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n/an/an/an/a 1.26E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50414848
PNG
(CHEMBL572531)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(Cl)c1 |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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n/an/an/an/a 1.00E+3n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50414856
PNG
(CHEMBL573519)
Show SMILES [#6]-n1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-c1ccccc1C(F)(F)F |w:3.2|
Show InChI InChI=1S/C14H14F3N5/c1-22-9(8-20-21-13(18)19)6-7-12(22)10-4-2-3-5-11(10)14(15,16)17/h2-8H,1H3,(H4,18,19,21)
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n/an/an/an/a 316n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50394977
PNG
(CHEMBL583068)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(c1)C(F)(F)F |w:5.5|
Show InChI InChI=1S/C9H8ClF3N4/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13/h1-4H,(H4,14,15,17)
UniProtKB/SwissProt

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n/an/an/an/a 501n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days


J Med Chem 52: 6511-4 (2009)


Article DOI: 10.1021/jm9011998
BindingDB Entry DOI: 10.7270/Q2G73FZF
More data for this
Ligand-Target Pair