Found 2203 hits with Last Name = 'lee' and Initial = 'ch' 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)) | BDBM50484591
(CHEMBL1939308)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(I)c1 |r| Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484591
(CHEMBL1939308)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(I)c1 |r| Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484594
(CHEMBL1939314)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50417287
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)| Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484594
(CHEMBL1939314)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484593
(CHEMBL1939311)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484593
(CHEMBL1939311)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50279369
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50279369
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000523
(CHEMBL544784)Show SMILES Cl.O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wU:15.16,(5.24,-.81,;-3.74,.62,;-2.67,,;-2.67,-1.54,;-1.33,-2.33,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,)| Show InChI InChI=1S/C19H22N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000453
(CHEMBL540055)Show SMILES Cl.COc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)| Show InChI InChI=1S/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484597
(CHEMBL1939310)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484597
(CHEMBL1939310)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000471
(CHEMBL542900)Show SMILES Cl.CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)| Show InChI InChI=1S/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000450
(CHEMBL542669)Show SMILES Cl.COc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)| Show InChI InChI=1S/C17H22N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,12,15H,5-11H2,1H3;1H | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000457
(CHEMBL542904)Show SMILES Cl.CCc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)| Show InChI InChI=1S/C18H24N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,14,17H,2,6-12H2,1H3;1H | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50056419
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484589
(CHEMBL1939305)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484622
(CHEMBL1939313)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484622
(CHEMBL1939313)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484589
(CHEMBL1939305)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000475
(CHEMBL555068)Show SMILES Cl.Cc1cccc2C(=O)N(CCc12)[C@@H]1CN2CCC1CC2 |r,wU:13.13,(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)| Show InChI InChI=1S/C17H22N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,13,16H,5-11H2,1H3;1H/t16-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000460
(CHEMBL540057)Show SMILES Cl.[H][C@]12CCCc3cccc(C(=O)N(C1)C1CN4CCC1CC4)c23 |r,wD:2.0,(5.24,-.81,;,-2.57,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;-2.67,,;-3.74,.62,;-2.67,-1.54,;-1.33,-2.33,;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,;)| Show InChI InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17?;/m0./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484623
(CHEMBL1939312)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484595
(CHEMBL1939280)Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484623
(CHEMBL1939312)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484595
(CHEMBL1939280)Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50069294
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biotech Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against human thrombin |
Bioorg Med Chem Lett 8: 631-4 (1999)
BindingDB Entry DOI: 10.7270/Q2CR5SHR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000455
(CHEMBL2093898)Show SMILES Cl.Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |r,wD:8.6,(8.85,2.41,;2.14,-2.4,;1.76,-1.23,;2.65,.02,;1.76,1.23,;2.24,2.69,;1.42,3.61,;3.74,3.01,;4.22,4.47,;3.12,5.65,;3.61,7.18,;4.97,6.47,;4.61,5.26,;5.81,4.78,;6.29,6.32,;5.19,7.52,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C17H21N3O.ClH/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20;/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21);1H/t15-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000469
(CHEMBL542903)Show SMILES Cl.O=c1n(cc2CCCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.17,(10.72,2.93,;3,5.97,;2.65,4.82,;3.7,3.7,;3.24,2.21,;1.74,1.87,;1.52,.37,;.18,-.4,;-.81,,;-1.5,1.28,;-.79,2.68,;-1.84,3.81,;-1.39,5.27,;.1,5.61,;1.15,4.48,;.69,3,;5.16,4.04,;5.59,5.56,;7.12,5.92,;7.21,4.43,;6.03,4.11,;6.23,2.87,;7.76,3.25,;8.21,4.78,)| Show InChI InChI=1S/C20H24N2O.ClH/c23-20-17-7-3-6-15-4-1-2-5-16(19(15)17)12-22(20)18-13-21-10-8-14(18)9-11-21;/h3,6-7,12,14,18H,1-2,4-5,8-11,13H2;1H/t18-;/m1./s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50440172
(CHEMBL2426574)Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1 Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
California NanoSystems Institute
Curated by ChEMBL
| Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay |
J Med Chem 56: 6696-708 (2013)
Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000445
(CHEMBL555038)Show SMILES Cl.Cc1cccc2c1ccn(C1CN3CCC1CC3)c2=O |(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)| Show InChI InChI=1S/C17H20N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,7,10,13,16H,5-6,8-9,11H2,1H3;1H | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000462
(CHEMBL545719)Show SMILES Cl.O=c1n(cc2CCc3cccc1c23)C1CN2CCC1CC2 |(5.29,-.99,;-1.31,-3.3,;-1.32,-2.04,;-2.66,-1.28,;-2.66,.25,;-1.32,1.01,;-1.01,2.56,;.94,2.54,;1.34,1.01,;2.67,.25,;2.67,-1.28,;1.34,-2.04,;,-1.28,;,.25,;-4.01,-2.07,;-3.97,-3.71,;-5.39,-4.55,;-5.94,-3.08,;-4.85,-2.41,;-5.43,-1.23,;-6.85,-2.08,;-6.82,-3.74,)| Show InChI InChI=1S/C18H20N2O.ClH/c21-18-15-3-1-2-13-4-5-14(17(13)15)10-20(18)16-11-19-8-6-12(16)7-9-19;/h1-3,10,12,16H,4-9,11H2;1H | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484621
(CHEMBL1939295)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484621
(CHEMBL1939295)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484590
(CHEMBL1939307)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)NCCc1ccccc1F |r| Show InChI InChI=1S/C20H23FN4O/c21-19-4-2-1-3-14(19)5-6-24-20(26)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50449636
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Similars
| PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000446
(CHEMBL88565)Show SMILES CN1C2CCC1CC(C2)n1cc2CCCc3cccc(c23)c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C20H24N2O/c1-21-15-8-9-16(21)11-17(10-15)22-12-14-6-2-4-13-5-3-7-18(19(13)14)20(22)23/h3,5,7,12,15-17H,2,4,6,8-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484590
(CHEMBL1939307)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)NCCc1ccccc1F |r| Show InChI InChI=1S/C20H23FN4O/c21-19-4-2-1-3-14(19)5-6-24-20(26)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50440173
(CHEMBL2426573)Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1 Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
California NanoSystems Institute
Curated by ChEMBL
| Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay |
J Med Chem 56: 6696-708 (2013)
Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484588
(CHEMBL1939304)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)NCc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)18-4-2-1-3-13(18)9-26-19(28)14-5-17(10-25-6-14)27-11-15-7-24-8-16(15)12-27/h1-6,10,15-16,24H,7-9,11-12H2,(H,26,28)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM86478
(A-317491)Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12 Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484588
(CHEMBL1939304)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)NCc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O/c21-20(22,23)18-4-2-1-3-13(18)9-26-19(28)14-5-17(10-25-6-14)27-11-15-7-24-8-16(15)12-27/h1-6,10,15-16,24H,7-9,11-12H2,(H,26,28)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50000468
(CHEMBL539020)Show SMILES Cl.Cc1cccc2c1c(C)cn(C1CN3CCC1CC3)c2=O |(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)| Show InChI InChI=1S/C18H22N2O.ClH/c1-12-4-3-5-15-17(12)13(2)10-20(18(15)21)16-11-19-8-6-14(16)7-9-19;/h3-5,10,14,16H,6-9,11H2,1-2H3;1H | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine |
J Med Chem 36: 2645-57 (1993)
Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484592
(CHEMBL1939309)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(OC(C)C)c1 |r| Show InChI InChI=1S/C21H26N4O2/c1-14(2)27-20-5-3-4-18(7-20)24-21(26)15-6-19(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h3-8,11,14,16-17,22H,9-10,12-13H2,1-2H3,(H,24,26)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50069294
((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biotech Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against bovine thrombin |
Bioorg Med Chem Lett 8: 631-4 (1999)
BindingDB Entry DOI: 10.7270/Q2CR5SHR |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484592
(CHEMBL1939309)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(OC(C)C)c1 |r| Show InChI InChI=1S/C21H26N4O2/c1-14(2)27-20-5-3-4-18(7-20)24-21(26)15-6-19(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h3-8,11,14,16-17,22H,9-10,12-13H2,1-2H3,(H,24,26)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50440151
(CHEMBL2426558)Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1 Show InChI InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
California NanoSystems Institute
Curated by ChEMBL
| Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay |
J Med Chem 56: 6696-708 (2013)
Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484620
(CHEMBL1939283)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C19H23N5O/c1-13-4-2-3-5-14(13)8-22-19(25)17-9-21-10-18(23-17)24-11-15-6-20-7-16(15)12-24/h2-5,9-10,15-16,20H,6-8,11-12H2,1H3,(H,22,25)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484620
(CHEMBL1939283)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C19H23N5O/c1-13-4-2-3-5-14(13)8-22-19(25)17-9-21-10-18(23-17)24-11-15-6-20-7-16(15)12-24/h2-5,9-10,15-16,20H,6-8,11-12H2,1H3,(H,22,25)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |