Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50045100 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-7
(Homo sapiens (Human)) | BDBM50161764
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)| Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at alpha7 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50045045
(CHEMBL3341965)Show SMILES [H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r| Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Partial agonist activity at rat alpha6 nAChR |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50045045
(CHEMBL3341965)Show SMILES [H][C@]12C[C@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r| Show InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Partial agonist activity at rat alpha7 nAChR |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50045044
(CHEMBL3341967)Show InChI InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Partial agonist activity at alpha7 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50161764
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)| Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of 5-HT3 receptor (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Acetylcholine receptor subunit alpha
(Homo sapiens (Human)) | BDBM50045044
(CHEMBL3341967)Show InChI InChI=1S/C10H14ClN3/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14/h6-8,12H,1-5H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 944 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Partial agonist activity at alpha1 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50143282
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Partial agonist activity at alpha7 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of DAT (unknown origin) assessed as transporter-mediated dopamine reuptake |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50045047
(Dexmecamylamine | TC-5214)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@](C)(NC)C2(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha7 nAChR |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50045046
(CHEMBL3341962)Show SMILES [H][C@@]12CC[C@@]([H])(C1)C(C)(NC)C2(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Non-competitive antagonist activity at alpha7 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50369323
(MECAMYLAMINE)Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha7 nAChR |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Non-competitive antagonist activity at alpha7 nAChR (unknown origin) |
J Med Chem 57: 8204-23 (2014)
Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX |
More data for this Ligand-Target Pair | |