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Compile Data Set for Download or QSAR

Found 1276 hits with Last Name = 'imura' and Initial = 'y'   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400876
PNG
(CHEMBL2204347)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400875
PNG
(CHEMBL2204353)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
Show InChI InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
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0.101n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400874
PNG
(CHEMBL2086410)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
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0.106n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400873
PNG
(CHEMBL2088029)
Show SMILES CC(C)N(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1
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0.137n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400872
PNG
(CHEMBL2088033)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400871
PNG
(CHEMBL2088030)
Show SMILES CC(C)NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H30F2N2O2S/c1-16(2)27-23(29)19(13-17-5-3-4-6-20(17)25)15-28-10-8-24(9-11-28)22-18(7-12-30-24)14-21(26)31-22/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,27,29)/t19-/m0/s1
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0.231n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400870
PNG
(CHEMBL559569 | SB-612111)
Show SMILES Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
Show InChI InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3
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0.253n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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2.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RABBIT)
BDBM82279
PNG
(CAS_118997-30-1 | PYY, human)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,147+,153-,154-,155-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Biol Chem 271: 27217-20 (1996)


Article DOI: 10.1074/jbc.271.44.27217
BindingDB Entry DOI: 10.7270/Q2K64GKW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375454
PNG
(CHEMBL261045)
Show SMILES CCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C14H17N3O/c1-3-12-10-4-5-13-11(6-7-18-13)14(10)17(16-12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375447
PNG
(CHEMBL403927)
Show SMILES CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C16H21N3O/c1-4-11-8-13-15(20-11)7-6-12-14(5-2)18-19(16(12)13)9-10(3)17/h6-8,10H,4-5,9,17H2,1-3H3/t10-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375459
PNG
(CHEMBL264172)
Show SMILES C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-7(4-14-15)2-3-8(11)9(10)12/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RABBIT)
BDBM82287
PNG
(NPY2-36 | NPY2-36, human | NPY2-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Biol Chem 271: 27217-20 (1996)


Article DOI: 10.1074/jbc.271.44.27217
BindingDB Entry DOI: 10.7270/Q2K64GKW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400869
PNG
(CHEMBL2088031)
Show SMILES CC(C)NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H30F2N2O2S/c1-16(2)27-23(29)19(13-17-5-3-4-6-20(17)25)15-28-10-8-24(9-11-28)22-18(7-12-30-24)14-21(26)31-22/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,27,29)/t19-/m1/s1
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4.51n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RABBIT)
BDBM82282
PNG
(NPY13-36 | NPY13-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C135H209N41O36/c1-15-68(9)105(129(210)172-98(60-102(137)184)124(205)166-93(54-67(7)8)126(207)175-106(69(10)16-2)130(211)176-107(73(14)178)131(212)162-87(26-21-51-152-135(145)146)113(194)161-88(43-45-101(136)183)117(198)159-85(24-19-49-150-133(141)142)114(195)163-90(108(138)189)55-74-27-35-79(179)36-28-74)174-127(208)96(58-77-33-41-82(182)42-34-77)169-123(204)97(59-78-62-147-64-153-78)170-116(197)86(25-20-50-151-134(143)144)160-120(201)92(53-66(5)6)164-111(192)72(13)156-128(209)100(63-177)173-122(203)95(57-76-31-39-81(181)40-32-76)168-121(202)94(56-75-29-37-80(180)38-30-75)167-115(196)84(23-18-48-149-132(139)140)157-109(190)71(12)155-119(200)91(52-65(3)4)165-125(206)99(61-104(187)188)171-118(199)89(44-46-103(185)186)158-110(191)70(11)154-112(193)83-22-17-47-148-83/h27-42,62,64-73,83-100,105-107,148,177-182H,15-26,43-61,63H2,1-14H3,(H2,136,183)(H2,137,184)(H2,138,189)(H,147,153)(H,154,193)(H,155,200)(H,156,209)(H,157,190)(H,158,191)(H,159,198)(H,160,201)(H,161,194)(H,162,212)(H,163,195)(H,164,192)(H,165,206)(H,166,205)(H,167,196)(H,168,202)(H,169,204)(H,170,197)(H,171,199)(H,172,210)(H,173,203)(H,174,208)(H,175,207)(H,176,211)(H,185,186)(H,187,188)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
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5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Biol Chem 271: 27217-20 (1996)


Article DOI: 10.1074/jbc.271.44.27217
BindingDB Entry DOI: 10.7270/Q2K64GKW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375448
PNG
(CHEMBL403926)
Show SMILES CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O/c1-4-11-7-13-14(19-11)6-5-12-10(3)17-18(15(12)13)8-9(2)16/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375899
PNG
(CHEMBL406585)
Show SMILES Clc1c2CCNCCc2ccc1C#N
Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400868
PNG
(CHEMBL2204349)
Show SMILES CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
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5.32n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400867
PNG
(CHEMBL2088032)
Show SMILES NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m1/s1
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5.61n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPCPX binding to Adenosine A1 receptor ofrat brain membranes


J Med Chem 41: 2676-8 (1998)


Article DOI: 10.1021/jm9802822
BindingDB Entry DOI: 10.7270/Q2NC61WN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375460
PNG
(CHEMBL256420)
Show SMILES C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-3-9(12)8(11)2-7(10)4-14-15/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375903
PNG
(CHEMBL262862)
Show SMILES Clc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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8.80n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400866
PNG
(CHEMBL2204348)
Show SMILES CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
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9.08n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375459
PNG
(CHEMBL264172)
Show SMILES C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-7(4-14-15)2-3-8(11)9(10)12/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |r|
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50422179
PNG
(CHEMBL2093912)
Show SMILES COc1cc2C[C@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |r|
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetylcholinesterase


J Med Chem 39: 4460-70 (1996)


Article DOI: 10.1021/jm950596e
BindingDB Entry DOI: 10.7270/Q2HD7WB9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- CGS 21680 binding to Adenosine A2A receptor of rat brain membranes


J Med Chem 41: 2676-8 (1998)


Article DOI: 10.1021/jm9802822
BindingDB Entry DOI: 10.7270/Q2NC61WN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50400865
PNG
(CHEMBL2204346)
Show SMILES CC(C)N(C)C(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m1/s1
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10.2n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting


J Med Chem 54: 2687-700 (2011)


Article DOI: 10.1021/jm101487v
BindingDB Entry DOI: 10.7270/Q20V8DXB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375460
PNG
(CHEMBL256420)
Show SMILES C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-3-9(12)8(11)2-7(10)4-14-15/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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11n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375454
PNG
(CHEMBL261045)
Show SMILES CCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C14H17N3O/c1-3-12-10-4-5-13-11(6-7-18-13)14(10)17(16-12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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11n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375446
PNG
(CHEMBL273163)
Show SMILES CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O2/c1-4-10-7-12-13(20-10)6-5-11-14(12)18(8-9(2)16)17-15(11)19-3/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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12n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1016/j.ejphar.2003.10.004
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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13n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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13n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
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