Found 359 hits with Last Name = 'borsini' and Initial = 'f' 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 |
|---|
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395423
(CHEMBL2165084)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1 Show InChI InChI=1S/C24H27N3O3/c25-23(28)20-14-16-27(18-20)21-12-8-13-22(17-21)30-24(29)26-15-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,8,10-14,16-18H,1-2,4,7,9,15H2,(H2,25,28)(H,26,29) | PDB
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| CHEMBL
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PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395424
(CHEMBL2165083)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1 Show InChI InChI=1S/C23H29N3O3/c1-2-3-4-5-6-7-8-9-10-15-25-23(28)29-21-13-11-12-20(17-21)26-16-14-19(18-26)22(24)27/h1,11-14,16-18H,3-10,15H2,(H2,24,27)(H,25,28) | PDB
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007872
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23) | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395421
(CHEMBL2165094)Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O4/c1-18-16-22(24(26)28)23(30-18)20-13-9-14-21(17-20)31-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29) | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395420
(CHEMBL2165070)Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O3S/c1-18-16-22(24(26)28)23(31-18)20-13-9-14-21(17-20)30-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29) | PDB
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Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50241143
((MDL 72222)3,5-Dichloro-benzoic acid 8-methyl-8-az...)Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM26739
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)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 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015025
(CHEMBL3262408)Show InChI InChI=1S/C24H29N3O/c1-25(21-9-5-10-22(28)19-21)13-6-14-26-15-17-27(18-16-26)24-12-4-8-20-7-2-3-11-23(20)24/h2-5,7-12,19,28H,6,13-18H2,1H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)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 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015219
(CHEMBL3262410)Show InChI InChI=1S/C20H26N2O/c23-20-11-6-8-18(17-20)7-4-5-12-21-13-15-22(16-14-21)19-9-2-1-3-10-19/h1-3,6,8-11,17,23H,4-5,7,12-16H2 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM35256
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(RAT) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)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 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395427
(CHEMBL2165073)Show SMILES Cc1oc(cc1C(N)=O)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1 Show InChI InChI=1S/C25H28N2O4/c1-18-22(24(26)28)17-23(30-18)20-13-9-14-21(16-20)31-25(29)27-15-8-3-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,16-17H,2-3,5,8,10,15H2,1H3,(H2,26,28)(H,27,29) | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 6.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015221
(CHEMBL3262395)Show SMILES CCc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C26H29N3O/c1-2-24-22(23-18-20(30)10-11-25(23)27-24)12-13-28-14-16-29(17-15-28)26-9-5-7-19-6-3-4-8-21(19)26/h3-11,18,27,30H,2,12-17H2,1H3 | PDB
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395442
(CHEMBL2165080)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H21F2N3O5/c23-16-4-5-20(19(24)12-16)31-11-10-30-9-7-26-22(29)32-18-3-1-2-17(13-18)27-8-6-15(14-27)21(25)28/h1-6,8,12-14H,7,9-11H2,(H2,25,28)(H,26,29) | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM181012
(US9133197, 4)Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1 | PDB
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay |
J Med Chem 56: 5456-63 (2013)
Article DOI: 10.1021/jm400491x
BindingDB Entry DOI: 10.7270/Q2R49TQK |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395444
(CHEMBL2165078)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccc(F)cc2)c1 Show InChI InChI=1S/C22H22FN3O5/c23-17-4-6-19(7-5-17)30-13-12-29-11-9-25-22(28)31-20-3-1-2-18(14-20)26-10-8-16(15-26)21(24)27/h1-8,10,14-15H,9,11-13H2,(H2,24,27)(H,25,28) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015197
(CHEMBL3262432)Show SMILES Cl.CN(C(=O)CCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1 Show InChI InChI=1S/C27H33N3O2.ClH/c1-28(23-11-8-12-24(31)21-23)27(32)15-3-2-6-16-29-17-19-30(20-18-29)26-14-7-10-22-9-4-5-13-25(22)26;/h4-5,7-14,21,31H,2-3,6,15-20H2,1H3;1H | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015197
(CHEMBL3262432)Show SMILES Cl.CN(C(=O)CCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1 Show InChI InChI=1S/C27H33N3O2.ClH/c1-28(23-11-8-12-24(31)21-23)27(32)15-3-2-6-16-29-17-19-30(20-18-29)26-14-7-10-22-9-4-5-13-25(22)26;/h4-5,7-14,21,31H,2-3,6,15-20H2,1H3;1H | PDB
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PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 8.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011300
(CHEMBL2398482 | US9133197, 2)Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17) | PDB
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay |
J Med Chem 56: 5456-63 (2013)
Article DOI: 10.1021/jm400491x
BindingDB Entry DOI: 10.7270/Q2R49TQK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015024
(CHEMBL3262411)Show InChI InChI=1S/C19H25N3O/c23-19-9-4-6-17(16-19)20-10-5-11-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-4,6-9,16,20,23H,5,10-15H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50426684
(CHEMBL2326494)Show SMILES NC(=O)c1ccn(c1)-c1cccc(c1)N1CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H34N4O/c28-27(32)24-14-16-31(22-24)26-13-8-12-25(21-26)30-19-17-29(18-20-30)15-7-2-1-4-9-23-10-5-3-6-11-23/h3,5-6,8,10-14,16,21-22H,1-2,4,7,9,15,17-20H2,(H2,28,32) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ... |
Bioorg Med Chem Lett 23: 492-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176058
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay |
J Med Chem 56: 5456-63 (2013)
Article DOI: 10.1021/jm400491x
BindingDB Entry DOI: 10.7270/Q2R49TQK |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395441
(CHEMBL2165081)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2c(F)cc(F)cc2F)c1 Show InChI InChI=1S/C22H20F3N3O5/c23-15-10-18(24)20(19(25)11-15)32-9-8-31-7-5-27-22(30)33-17-3-1-2-16(12-17)28-6-4-14(13-28)21(26)29/h1-4,6,10-13H,5,7-9H2,(H2,26,29)(H,27,30) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015015
(CHEMBL3262425)Show SMILES Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H29N3O3S/c29-24-12-7-11-23(21-24)28(32(30,31)25-13-5-2-6-14-25)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011301
(CHEMBL2398486 | US9133197, 7)Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay |
J Med Chem 56: 5456-63 (2013)
Article DOI: 10.1021/jm400491x
BindingDB Entry DOI: 10.7270/Q2R49TQK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015220
(CHEMBL3262393)Show SMILES Oc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015220
(CHEMBL3262393)Show SMILES Oc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C24H25N3O/c28-20-8-9-23-22(16-20)19(17-25-23)10-11-26-12-14-27(15-13-26)24-7-3-5-18-4-1-2-6-21(18)24/h1-9,16-17,25,28H,10-15H2 | PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015200
(CHEMBL3262430)Show InChI InChI=1S/C23H33N3O/c1-24(22-12-9-13-23(27)20-22)14-7-2-3-8-15-25-16-18-26(19-17-25)21-10-5-4-6-11-21/h4-6,9-13,20,27H,2-3,7-8,14-19H2,1H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015033
(CHEMBL3262421)Show InChI InChI=1S/C20H25N3O/c24-17-18-6-4-7-19(16-18)21-10-5-11-22-12-14-23(15-13-22)20-8-2-1-3-9-20/h1-4,6-9,16-17,21H,5,10-15H2 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015222
(CHEMBL3262394)Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C25H27N3O/c1-18-21(23-17-20(29)9-10-24(23)26-18)11-12-27-13-15-28(16-14-27)25-8-4-6-19-5-2-3-7-22(19)25/h2-10,17,26,29H,11-16H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50426683
(CHEMBL2326500)Show InChI InChI=1S/C23H31N3O2/c27-23(25-14-7-2-1-4-9-20-10-5-3-6-11-20)28-22-13-8-12-21(19-22)26-17-15-24-16-18-26/h3,5-6,8,10-13,19,24H,1-2,4,7,9,14-18H2,(H,25,27) | PDB
MMDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after ... |
Bioorg Med Chem Lett 23: 492-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.035
BindingDB Entry DOI: 10.7270/Q22B90BK |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(RAT) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50015199
(CHEMBL3262429)Show InChI InChI=1S/C22H31N3O/c1-23(21-11-8-12-22(26)19-21)13-6-3-7-14-24-15-17-25(18-16-24)20-9-4-2-5-10-20/h2,4-5,8-12,19,26H,3,6-7,13-18H2,1H3 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis |
Eur J Med Chem 80: 8-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.034
BindingDB Entry DOI: 10.7270/Q2HT2QV6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(RAT) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)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 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50047166
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+ | PDB
MMDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay |
J Med Chem 56: 1247-61 (2013)
Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Mus musculus (mouse)) | BDBM50395443
(CHEMBL2165079)Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCOCCOc2ccccc2F)c1 Show InChI InChI=1S/C22H22FN3O5/c23-19-6-1-2-7-20(19)30-13-12-29-11-9-25-22(28)31-18-5-3-4-17(14-18)26-10-8-16(15-26)21(24)27/h1-8,10,14-15H,9,11-13H2,(H2,24,27)(H,25,28) | PDB
MMDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... |
J Med Chem 55: 6898-915 (2012)
Article DOI: 10.1021/jm300689c
BindingDB Entry DOI: 10.7270/Q2ZK5HSK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM181011
(US9133197, 3)Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay |
J Med Chem 56: 5456-63 (2013)
Article DOI: 10.1021/jm400491x
BindingDB Entry DOI: 10.7270/Q2R49TQK |
More data for this
Ligand-Target Pair | |
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