Found 24 hits with Last Name = 'coster' and Initial = 'mj' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50305342
(4-(3'-Fluorophenethyl)-4-azahexacyclo[5.4.1.02,6.0...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2 | PDB
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PC sid
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | PDB
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PC sid
UniChem
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PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Alpha2C adrenoceptor receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Alpha2C adrenoceptor receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | NCI pathway
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PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | PDB
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PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50305343
(4-(3'-Fluorophenyl)methyl-4-azahexacyclo[5.4.1.02,...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2 | PDB
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PC cid
PC sid
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| Article
PubMed
| 153 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50305344
(8-(3'-Fluorobenzyl)amino-4-oxapentacyclo[5.4.1.02,...)Show SMILES Fc1cccc(CNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:17:18:14.11:9,12:11:18.19:9,13:14:18.19:9,15:19:14.11:9| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(4-8)6-20-18-15-10-5-9-11-12(10)16(18)14(11)17(21-18)13(9)15/h1-4,9-17,20H,5-6H2 | PDB
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| 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to sigma 1 receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to NET |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50305341
(8-(3'-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1....)Show SMILES Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1A receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50305342
(4-(3'-Fluorophenethyl)-4-azahexacyclo[5.4.1.02,6.0...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Alpha2C adrenoceptor receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50305343
(4-(3'-Fluorophenyl)methyl-4-azahexacyclo[5.4.1.02,...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Alpha2C adrenoceptor receptor |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50305343
(4-(3'-Fluorophenyl)methyl-4-azahexacyclo[5.4.1.02,...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(4-8)6-20-17-13-9-5-10-12-11(9)14(17)16(12)18(20,21)15(10)13/h1-4,9-17,21H,5-6H2 | NCI pathway
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UniChem
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50305344
(8-(3'-Fluorobenzyl)amino-4-oxapentacyclo[5.4.1.02,...)Show SMILES Fc1cccc(CNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:17:18:14.11:9,12:11:18.19:9,13:14:18.19:9,15:19:14.11:9| Show InChI InChI=1S/C18H18FNO/c19-8-3-1-2-7(4-8)6-20-18-15-10-5-9-11-12(10)16(18)14(11)17(21-18)13(9)15/h1-4,9-17,20H,5-6H2 | NCI pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50305342
(4-(3'-Fluorophenethyl)-4-azahexacyclo[5.4.1.02,6.0...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11| Show InChI InChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-18-14-10-7-11-13-12(10)15(18)17(13)19(21,22)16(11)14/h1-3,6,10-18,22H,4-5,7H2 | NCI pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to DAT |
Bioorg Med Chem Lett 20: 145-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.019
BindingDB Entry DOI: 10.7270/Q2NS0V0S |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50298708
(CHEMBL574539 | [3H]A-804598)Show SMILES C[C@H](NC(NC#N)=Nc1cccc2ncccc12)c1ccccc1 |r,w:7.7| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity at human P2X7 receptor |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50298708
(CHEMBL574539 | [3H]A-804598)Show SMILES C[C@H](NC(NC#N)=Nc1cccc2ncccc12)c1ccccc1 |r,w:7.7| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity at rat P2X7 receptor |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Mus musculus) | BDBM50298708
(CHEMBL574539 | [3H]A-804598)Show SMILES C[C@H](NC(NC#N)=Nc1cccc2ncccc12)c1ccccc1 |r,w:7.7| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity at mouse P2X7 receptor |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Rattus norvegicus (Rat)) | BDBM50234965
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluoro... |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50234965
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluo... |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50234965
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32) | PDB
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced pore formation flux by... |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50234965
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32) | PDB
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| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human THP1 cells assessed as inhibition of BzATP-induced IL1beta release by enzym... |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50087267
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced pore formation |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50298709
(CHEMBL585553 | Stylissadine A)Show SMILES NC1=[NH+]C2(O)C(N1)OC1NC(=[NH2+])NC11C(OC3C(CNC(=O)c4cc(Br)c(Br)[nH]4)C(CNC(=O)c4cc(Br)c(Br)[nH]4)C4C5(O)NC(=[NH2+])NC5OC5NC(=[NH2+])NC345)C(CNC(=O)c3cc(Br)c(Br)[nH]3)C(CNC(=O)c3cc(Br)c(Br)[nH]3)C21 |t:1| Show InChI InChI=1S/C44H46Br8N20O9/c45-13-1-17(61-25(13)49)29(73)57-5-9-11(7-59-31(75)19-3-15(47)27(51)63-19)23(41-21(9)43(77)35(67-39(55)71-43)80-33(41)65-37(53)69-41)79-24-12(8-60-32(76)20-4-16(48)28(52)64-20)10(6-58-30(74)18-2-14(46)26(50)62-18)22-42(24)34(66-38(54)70-42)81-36-44(22,78)72-40(56)68-36/h1-4,9-12,21-24,33-36,61-64,77-78H,5-8H2,(H,57,73)(H,58,74)(H,59,75)(H,60,76)(H3,53,65,69)(H3,54,66,70)(H3,55,67,71)(H3,56,68,72)/p+4 | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced pore formation |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50298710
(CHEMBL582937 | Stylissadine B)Show SMILES NC1=N[C@]2(O)[C@H](N1)O[C@@H]1N=C(N)N[C@@]11[C@@H](O[C@H]3[C@H](CNC(=O)c4cc(Br)c(Br)[nH]4)[C@@H](CNC(=O)c4cc(Br)c(Br)[nH]4)[C@@H]4[C@]5(O)N=C(N)N[C@@H]5O[C@@H]5N=C(N)N[C@]345)[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H]21 |r,t:1,10,48,56| Show InChI InChI=1S/C44H46Br8N20O9/c45-13-1-17(61-25(13)49)29(73)57-5-9-11(7-59-31(75)19-3-15(47)27(51)63-19)23(41-21(9)43(77)35(67-39(55)71-43)80-33(41)65-37(53)69-41)79-24-12(8-60-32(76)20-4-16(48)28(52)64-20)10(6-58-30(74)18-2-14(46)26(50)62-18)22-42(24)34(66-38(54)70-42)81-36-44(22,78)72-40(56)68-36/h1-4,9-12,21-24,33-36,61-64,77-78H,5-8H2,(H,57,73)(H,58,74)(H,59,75)(H,60,76)(H3,53,65,69)(H3,54,66,70)(H3,55,67,71)(H3,56,68,72)/t9-,10-,11-,12-,21-,22+,23+,24+,33+,34+,35-,36-,41+,42+,43-,44-/m1/s1 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced pore formation |
Bioorg Med Chem 17: 4861-5 (2009)
Article DOI: 10.1016/j.bmc.2009.05.083
BindingDB Entry DOI: 10.7270/Q22N52B0 |
More data for this
Ligand-Target Pair | |
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