Compile Data Set for Download or QSAR

Found 504 hits with Last Name = 'bavo' 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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50097618 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-p...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C17H20N2O/c1-19-9-5-8-16(19)13-20-17-10-15(11-18-12-17)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049756 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...) Show SMILES CN1CCC[C@H]1COc1cccnc1 Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50069827 (3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...) Show SMILES CN1CCC[C@H]1COc1cncc(Br)c1 Show InChI InChI=1S/C11H15BrN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597520 (CHEMBL5200914) Show SMILES [I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597522 (CHEMBL5193143) Show SMILES [I-].CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597504 (CHEMBL5177606) Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597518 (CHEMBL5182114) Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597512 (CHEMBL5201239) Show SMILES [I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597517 (CHEMBL5171118) Show SMILES [I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203716 (CHEMBL3982273) Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H21NO3/c1-19-8-2-3-15(19)12-22-18-10-14(9-17(21)11-18)13-4-6-16(20)7-5-13/h4-7,9-11,15,20-21H,2-3,8,12H2,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...) Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597510 (CHEMBL5176690) Show SMILES [I-].C[N+]1(C)CC(C1)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597506 (CHEMBL5190813) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50357064 (CHEMBL1917231) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r| Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597507 (CHEMBL5176101) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203721 (CHEMBL3908946) Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C12H16N2O3/c1-13-7-3-5-11(13)9-17-12-6-2-4-10(8-12)14(15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain membranes incubated for 60 mins				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597513 (CHEMBL5178473) Show SMILES [I-].C[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597511 (CHEMBL5202770) Show SMILES [I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597508 (CHEMBL5193899) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597521 (CHEMBL5184266) Show SMILES [I-].CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50357064 (CHEMBL1917231) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r| Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203723 (CHEMBL3930193) Show SMILES CN1CCC[C@H]1COc1cc(cc(c1)[N+]([O-])=O)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H20N2O4/c1-19-8-2-3-15(19)12-24-18-10-14(9-16(11-18)20(22)23)13-4-6-17(21)7-5-13/h4-7,9-11,15,21H,2-3,8,12H2,1H3/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203718 (CHEMBL3921285) Show SMILES CN1CCC[C@H]1COc1cc(cc(c1)[N+]([O-])=O)C#CCCCCO |r| Show InChI InChI=1S/C18H24N2O4/c1-19-9-6-8-16(19)14-24-18-12-15(7-4-2-3-5-10-21)11-17(13-18)20(22)23/h11-13,16,21H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597505 (CHEMBL5174508) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50549596 (CHEMBL4785648) Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine add...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50597519 (CHEMBL5197631) Show SMILES [I-].C[N+]1(C)CCC[C@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50549596 (CHEMBL4785648) Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597513 (CHEMBL5178473) Show SMILES [I-].C[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203722 (CHEMBL3924642) Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)C#CCCCCO |r| Show InChI InChI=1S/C18H25NO3/c1-19-9-6-8-16(19)14-22-18-12-15(11-17(21)13-18)7-4-2-3-5-10-20/h11-13,16,20-21H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50203716 (CHEMBL3982273) Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H21NO3/c1-19-8-2-3-15(19)12-22-18-10-14(9-17(21)11-18)13-4-6-16(20)7-5-13/h4-7,9-11,15,20-21H,2-3,8,12H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203721 (CHEMBL3908946) Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C12H16N2O3/c1-13-7-3-5-11(13)9-17-12-6-2-4-10(8-12)14(15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50597504 (CHEMBL5177606) Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597498 (CHEMBL5192210) Show SMILES [I-].CC[N+](C)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597504 (CHEMBL5177606) Show SMILES [I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50287824 ((S)-1-Methyl-2-phenoxymethyl-pyrrolidine | CHEMBL7...) Show SMILES CN1CCC[C@H]1COc1ccccc1 Show InChI InChI=1S/C12H17NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50597507 (CHEMBL5176101) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50549596 (CHEMBL4785648) Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ccc(N)cc2O1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01150 BindingDB Entry DOI: 10.7270/Q2K93C4G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50588336 (CHEMBL5186739) Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00290 BindingDB Entry DOI: 10.7270/Q2SB49PD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50203714 (CHEMBL3893291) Show SMILES CN1CCC[C@H]1COc1cc(Br)cc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C12H15BrN2O3/c1-14-4-2-3-10(14)8-18-12-6-9(13)5-11(7-12)15(16)17/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597511 (CHEMBL5202770) Show SMILES [I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597512 (CHEMBL5201239) Show SMILES [I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50597506 (CHEMBL5190813) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597510 (CHEMBL5176690) Show SMILES [I-].C[N+]1(C)CC(C1)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50588336 (CHEMBL5186739) Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00290 BindingDB Entry DOI: 10.7270/Q2SB49PD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta (Homo sapiens (Human))	BDBM50588336 (CHEMBL5186739) Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00290 BindingDB Entry DOI: 10.7270/Q2SB49PD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50597506 (CHEMBL5190813) Show SMILES [I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50597518 (CHEMBL5182114) Show SMILES C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00746 BindingDB Entry DOI: 10.7270/Q2J96BDG
					More data for this Ligand-Target Pair

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