Found 2093 hits with Last Name = 'omoto' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1 | PDB
MMDB
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UniChem
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| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB
MMDB
NCI pathway
Reactome pathway
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| PDB
Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to alpha4beta2 nAChR in rat cortex |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM144227
(US8952008, 4)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3 | UniProtKB/SwissProt
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| Article
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50067424
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | PDB
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| PDB
Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50512947
(CHEMBL4545044)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-12-25-21-18(10-26-27-22(21)29)13-5-6-19(24)16(7-13)17-8-14-11-28(2)23(30)15(14)9-20(17)31-3/h5-10,12H,4,11H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha3 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha2 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260712
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-iso...)Show SMILES CC(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O3/c1-12(2)10-11-22-13-8-6-7-9-14(13)23(18(22)26)17(25)21-15(16(20)24)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t15-/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM144227
(US8952008, 4)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3 | PDB
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| Article
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| Article
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha1 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50156083
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3 | PDB
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| Article
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50179998
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3 | PDB
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| Article
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin) |
J Med Chem 56: 593-624 (2013)
Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144227
(US8952008, 4)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3 | PDB
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| US Patent
| <2.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50512947
(CHEMBL4545044)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-12-25-21-18(10-26-27-22(21)29)13-5-6-19(24)16(7-13)17-8-14-11-28(2)23(30)15(14)9-20(17)31-3/h5-10,12H,4,11H2,1-3H3 | PDB
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| PC cid
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| Article
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50377918
(CHEMBL1162994)Show SMILES CC(C)(C)C(NC(=O)n1c2ccccc2n(CCC2CCOCC2)c1=O)C(N)=O Show InChI InChI=1S/C21H30N4O4/c1-21(2,3)17(18(22)26)23-19(27)25-16-7-5-4-6-15(16)24(20(25)28)11-8-14-9-12-29-13-10-14/h4-7,14,17H,8-13H2,1-3H3,(H2,22,26)(H,23,27) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260672
((S)-N-(1-cyano-2,2-dimethylpropyl)-3-(2-morpholino...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C#N |r| Show InChI InChI=1S/C20H27N5O3/c1-20(2,3)17(14-21)22-18(26)25-16-7-5-4-6-15(16)24(19(25)27)9-8-23-10-12-28-13-11-23/h4-7,17H,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260627
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H29N5O4/c1-20(2,3)16(17(21)26)22-18(27)25-15-7-5-4-6-14(15)24(19(25)28)9-8-23-10-12-29-13-11-23/h4-7,16H,8-13H2,1-3H3,(H2,21,26)(H,22,27)/t16-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260673
((S)-N-(2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)p...)Show SMILES Cn1nnc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H30N8O3/c1-21(2,3)17(18-23-25-26(4)24-18)22-19(30)29-16-8-6-5-7-15(16)28(20(29)31)10-9-27-11-13-32-14-12-27/h5-8,17H,9-14H2,1-4H3,(H,22,30)/t17-/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144226
(US8952008, 3)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27) | PDB
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| 5.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144239
(US8952008, 32)Show SMILES CC(C)n1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H18FN5O2S/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-5-8-18(21)16(9-14)13-3-6-15(7-4-13)29(22,27)28/h3-12H,1-2H3,(H2,22,27,28) | PDB
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| 5.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260709
(CHEMBL496497 | N-((S)-1-amino-3,3-dimethyl-1-oxobu...)Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2CCCO2)c1=O)C(N)=O |r| Show InChI InChI=1S/C19H26N4O4/c1-19(2,3)15(16(20)24)21-17(25)23-14-9-5-4-8-13(14)22(18(23)26)11-12-7-6-10-27-12/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t12?,15-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261052
((R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C24H28N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-4,6,8,10-11,20H,5,7,9,12-17H2,(H,25,29)/t20-/m1/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144252
(US8952008, 8)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(=O)(=O)NC Show InChI InChI=1S/C20H18FN5O2S/c1-3-26-12-23-19-17(11-24-25-20(19)26)14-6-9-18(21)16(10-14)13-4-7-15(8-5-13)29(27,28)22-2/h4-12,22H,3H2,1-2H3 | PDB
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| 7.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144256
(US8952008, 12)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(C)(=O)=O Show InChI InChI=1S/C21H19FN4O3S/c1-4-26-12-23-20-17(11-24-25-21(20)26)13-5-8-18(22)16(9-13)15-7-6-14(30(3,27)28)10-19(15)29-2/h5-12H,4H2,1-3H3 | PDB
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| 7.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261051
(3-(2-morpholinoethyl)-N-(naphthalen-1-yl)-2-oxo-2,...)Show SMILES O=C(Nc1cccc2ccccc12)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260753
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(3-...)Show SMILES CC(C)(O)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O |r| Show InChI InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144270
(US8952008, 38)Show SMILES COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C)S(C)(=O)=O Show InChI InChI=1S/C22H21FN4O3S/c1-13(2)27-12-24-21-18(11-25-26-22(21)27)14-5-8-19(23)17(9-14)16-7-6-15(31(4,28)29)10-20(16)30-3/h5-13H,1-4H3 | PDB
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| 8.56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50261099
((R)-1-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahy...)Show SMILES O=C(N[C@@H]1CCCc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O |r| Show InChI InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1 | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144229
(US8952008, 6)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)C1CCC1 Show InChI InChI=1S/C24H23FN4O3S/c1-3-29-14-26-23-20(13-27-28-24(23)29)15-7-10-21(25)19(11-15)18-9-8-17(12-22(18)32-2)33(30,31)16-5-4-6-16/h7-14,16H,3-6H2,1-2H3 | PDB
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| 9.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144230
(US8952008, 7)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)C1CC1 Show InChI InChI=1S/C23H21FN4O3S/c1-3-28-13-25-22-19(12-26-27-23(22)28)14-4-9-20(24)18(10-14)17-8-7-16(11-21(17)31-2)32(29,30)15-5-6-15/h4,7-13,15H,3,5-6H2,1-2H3 | PDB
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| 9.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144225
(US8952008, 2)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C20H16F2N4O2S/c1-3-26-11-23-19-16(10-24-25-20(19)26)12-4-7-17(21)15(8-12)14-6-5-13(9-18(14)22)29(2,27)28/h4-11H,3H2,1-2H3 | PDB
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| 10.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144257
(US8952008, 13)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)C(C)C Show InChI InChI=1S/C23H23FN4O3S/c1-5-28-13-25-22-19(12-26-27-23(22)28)15-6-9-20(24)18(10-15)17-8-7-16(11-21(17)31-4)32(29,30)14(2)3/h6-14H,5H2,1-4H3 | PDB
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| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144272
(US8952008, 40)Show SMILES CCS(=O)(=O)c1ccc(c(OC)c1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C Show InChI InChI=1S/C23H23FN4O3S/c1-5-32(29,30)16-7-8-17(21(11-16)31-4)18-10-15(6-9-20(18)24)19-12-26-27-23-22(19)25-13-28(23)14(2)3/h6-14H,5H2,1-4H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144271
(US8952008, 39)Show SMILES CCS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C Show InChI InChI=1S/C22H20ClFN4O2S/c1-4-31(29,30)15-6-7-16(19(23)10-15)17-9-14(5-8-20(17)24)18-11-26-27-22-21(18)25-12-28(22)13(2)3/h5-13H,4H2,1-3H3 | PDB
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| US Patent
| 14.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260514
((S)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-3-(2-morp...)Show SMILES CC(C)(C)[C@@H](CO)NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O |r| Show InChI InChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1 | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260674
((S)-N-(2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-...)Show SMILES Cc1noc(n1)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C22H30N6O4/c1-15-23-19(32-25-15)18(22(2,3)4)24-20(29)28-17-8-6-5-7-16(17)27(21(28)30)10-9-26-11-13-31-14-12-26/h5-8,18H,9-14H2,1-4H3,(H,24,29)/t18-/m1/s1 | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144240
(US8952008, 33)Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C Show InChI InChI=1S/C21H20FN5O2S/c1-13(2)27-12-24-20-18(11-25-26-21(20)27)15-6-9-19(22)17(10-15)14-4-7-16(8-5-14)30(28,29)23-3/h4-13,23H,1-3H3 | PDB
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| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144253
(US8952008, 9)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H17FN4O2S/c1-3-25-12-22-19-17(11-23-24-20(19)25)14-6-9-18(21)16(10-14)13-4-7-15(8-5-13)28(2,26)27/h4-12H,3H2,1-2H3 | PDB
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| 17.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM144227
(US8952008, 4)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha5beta2gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144259
(US8952008, 15)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1F)S(=O)(=O)CC Show InChI InChI=1S/C21H18F2N4O2S/c1-3-27-12-24-20-17(11-25-26-21(20)27)13-5-8-18(22)16(9-13)15-7-6-14(10-19(15)23)30(28,29)4-2/h5-12H,3-4H2,1-2H3 | PDB
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| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144262
(US8952008, 20)Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1 Show InChI InChI=1S/C21H18FN5O2S/c1-23-30(28,29)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-25-26-21-20(18)24-12-27(21)15-5-6-15/h2-4,7-12,15,23H,5-6H2,1H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144269
(US8952008, 37)Show SMILES COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25FN4O3S/c1-14(2)29-13-26-23-20(12-27-28-24(23)29)16-6-9-21(25)19(10-16)18-8-7-17(11-22(18)32-5)33(30,31)15(3)4/h6-15H,1-5H3 | PDB
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| 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50260626
((S)-N'-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)Show SMILES CNC(=O)[C@@H](NC(=O)n1c2ccccc2n(CCN2CCOCC2)c1=O)C(C)(C)C |r| Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)17(18(27)22-4)23-19(28)26-16-8-6-5-7-15(16)25(20(26)29)10-9-24-11-13-30-14-12-24/h5-8,17H,9-14H2,1-4H3,(H,22,27)(H,23,28)/t17-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3310-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144250
(US8952008, 49)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(=O)(=O)CC Show InChI InChI=1S/C21H19FN4O2S/c1-3-26-13-23-20-18(12-24-25-21(20)26)15-7-10-19(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3 | PDB
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| 21.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM144238
(US8952008, 31)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C Show InChI InChI=1S/C22H21FN4O2S/c1-4-30(28,29)17-8-5-15(6-9-17)18-11-16(7-10-20(18)23)19-12-25-26-22-21(19)24-13-27(22)14(2)3/h5-14H,4H2,1-3H3 | PDB
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| 23.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Limited
US Patent
| Assay Description
The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per... |
US Patent US8952008 (2015)
BindingDB Entry DOI: 10.7270/Q2XD10DW |
More data for this
Ligand-Target Pair | |
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