Compile Data Set for Download or QSAR

Found 496 hits with Last Name = 'mcintosh' and Initial = 'jm'   

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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	104	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466608 (CHEMBL4285772) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466614 (CHEMBL4291079) Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466613 (CHEMBL4287656) Show SMILES [I-].CC[N+](CC)(CC)CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C24H34NO3/c1-6-25(7-2,8-3)15-16-28-22-13-11-20(12-14-22)9-10-21-17-23(26-4)19-24(18-21)27-5/h9-14,17-19H,6-8,15-16H2,1-5H3/q+1/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50001695 (CHEMBL3238085) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis				J Med Chem 57: 3511-21 (2014) Article DOI: 10.1021/jm500183r BindingDB Entry DOI: 10.7270/Q2ZC84CQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466606 (CHEMBL4280452) Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C26H38NO3/c1-6-27(7-2,8-3)17-9-10-18-30-24-15-13-22(14-16-24)11-12-23-19-25(28-4)21-26(20-23)29-5/h11-16,19-21H,6-10,17-18H2,1-5H3/q+1/b12-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	305	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466607 (CHEMBL4293646) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	465	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466603 (CHEMBL4277852) Show SMILES [I-].C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C38H38OP/c1(15-31-39-35-29-27-34(28-30-35)26-25-33-17-7-3-8-18-33)2-16-32-40(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-30H,1-2,15-16,31-32H2/q+1/b26-25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	559	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466615 (CHEMBL4291927) Show SMILES [I-].C(CCCOc1ccc(\C=C\c2ccccc2)cc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H40OP/c1(2-16-32-40-36-30-28-35(29-31-36)27-26-34-18-8-4-9-19-34)3-17-33-41(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-15,18-31H,1-3,16-17,32-33H2/q+1/b27-26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	617	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50001698 (CHEMBL3238083) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis				J Med Chem 57: 3511-21 (2014) Article DOI: 10.1021/jm500183r BindingDB Entry DOI: 10.7270/Q2ZC84CQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50001696 (CHEMBL3238023) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(C)C)C(O)=O)[C@H](C)O |r| Show InChI InChI=1S/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis				J Med Chem 57: 3511-21 (2014) Article DOI: 10.1021/jm500183r BindingDB Entry DOI: 10.7270/Q2ZC84CQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466611 (CHEMBL4281312) Show SMILES [I-].C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C40H42OP/c1(3-17-33-41-37-31-29-36(30-32-37)28-27-35-19-9-5-10-20-35)2-4-18-34-42(38-21-11-6-12-22-38,39-23-13-7-14-24-39)40-25-15-8-16-26-40/h5-16,19-32H,1-4,17-18,33-34H2/q+1/b28-27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	909	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50001701 (CHEMBL3238086) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r| Show InChI InChI=1S/C59H85N13O16S4/c1-5-9-17-38-58(86)72-23-13-18-46(72)57(85)63-36(8-4)49(77)69-43-29-90-89-28-42(61-47(75)26-60)54(82)70-44(56(84)68-41(27-73)53(81)65-38)30-91-92-31-45(59(87)88)71-52(80)40(25-33-19-21-34(74)22-20-33)66-50(78)37(14-6-2)64-48(76)35(7-3)62-51(79)39(67-55(43)83)24-32-15-11-10-12-16-32/h10-12,15-16,19-22,35-46,73-74H,5-9,13-14,17-18,23-31,60H2,1-4H3,(H,61,75)(H,62,79)(H,63,85)(H,64,76)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,77)(H,70,82)(H,71,80)(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis				J Med Chem 57: 3511-21 (2014) Article DOI: 10.1021/jm500183r BindingDB Entry DOI: 10.7270/Q2ZC84CQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466616 (CHEMBL4288118) Show SMILES [I-].C(COc1ccc(\C=C\c2ccccc2)cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32OP/c1-5-14-30(15-6-1)22-23-31-24-26-32(27-25-31)36-28-13-29-37(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-27H,13,28-29H2/q+1/b23-22+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	984	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50001702 (CHEMBL3238084) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r| Show InChI InChI=1S/C60H85N13O16S4/c1-4-7-16-38-58(86)73-24-12-18-47(73)59(87)72-23-11-17-46(72)57(85)70-44-31-91-90-29-42(62-48(76)27-61)54(82)69-43(56(84)68-41(28-74)53(81)65-38)30-92-93-32-45(60(88)89)71-52(80)40(26-34-19-21-35(75)22-20-34)66-50(78)37(13-5-2)64-49(77)36(6-3)63-51(79)39(67-55(44)83)25-33-14-9-8-10-15-33/h8-10,14-15,19-22,36-47,74-75H,4-7,11-13,16-18,23-32,61H2,1-3H3,(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,82)(H,70,85)(H,71,80)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis				J Med Chem 57: 3511-21 (2014) Article DOI: 10.1021/jm500183r BindingDB Entry DOI: 10.7270/Q2ZC84CQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466612 (CHEMBL4290427) Show SMILES [I-].C(CCCCOc1ccc(\C=C\c2ccccc2)cc1)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H44OP/c1(2-4-18-34-42-38-32-30-37(31-33-38)29-28-36-20-10-6-11-21-36)3-5-19-35-43(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41/h6-17,20-33H,1-5,18-19,34-35H2/q+1/b29-28+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+3	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466609 (CHEMBL4284717) Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.64E+3	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466605 (CHEMBL4276776) Show SMILES [I-].COc1cc(OC)cc(\C=C\c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1 Show InChI InChI=1S/C38H38O3P/c1-39-34-28-32(29-35(30-34)40-2)21-20-31-22-24-33(25-23-31)41-26-12-13-27-42(36-14-6-3-7-15-36,37-16-8-4-9-17-37)38-18-10-5-11-19-38/h3-11,14-25,28-30H,12-13,26-27H2,1-2H3/q+1/b21-20+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466604 (CHEMBL4280206) Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50466610 (CHEMBL4288506) Show SMILES [I-].C(CCOc1ccc(\C=C\c2ccccc2)cc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H36OP/c1-6-16-32(17-7-1)24-25-33-26-28-34(29-27-33)38-30-14-5-15-31-39(35-18-8-2-9-19-35,36-20-10-3-11-21-36)37-22-12-4-13-23-37/h1-4,6-13,16-29H,5,14-15,30-31H2/q+1/b25-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	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 [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50466614 (CHEMBL4291079) Show SMILES [I-].CC[N+](CC)(CC)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H34NO/c1-4-25(5-2,6-3)20-10-11-21-26-24-18-16-23(17-19-24)15-14-22-12-8-7-9-13-22/h7-9,12-19H,4-6,10-11,20-21H2,1-3H3/q+1/b15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50466604 (CHEMBL4280206) Show SMILES [I-].C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C42H46OP/c1(3-5-19-35-43-39-33-31-38(32-34-39)30-29-37-21-11-7-12-22-37)2-4-6-20-36-44(40-23-13-8-14-24-40,41-25-15-9-16-26-41)42-27-17-10-18-28-42/h7-18,21-34H,1-6,19-20,35-36H2/q+1/b30-29+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50466609 (CHEMBL4284717) Show SMILES [I-].C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C36H34OP/c1-5-15-31(16-6-1)23-24-32-25-27-33(28-26-32)37-29-13-14-30-38(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-12,15-28H,13-14,29-30H2/q+1/b24-23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50466607 (CHEMBL4293646) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C26H38NO/c1-4-27(5-2,6-3)22-12-7-8-13-23-28-26-20-18-25(19-21-26)17-16-24-14-10-9-11-15-24/h9-11,14-21H,4-8,12-13,22-23H2,1-3H3/q+1/b17-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
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	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50466608 (CHEMBL4285772) Show SMILES [I-].CC[N+](CC)(CC)CCCCCCCCOc1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C28H42NO/c1-4-29(5-2,6-3)24-14-9-7-8-10-15-25-30-28-22-20-27(21-23-28)19-18-26-16-12-11-13-17-26/h11-13,16-23H,4-10,14-15,24-25H2,1-3H3/q+1/b19-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	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 human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606633 (CHEMBL5219936) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6/beta-2 (Homo sapiens (Human))	BDBM50481208 (CHEMBL594330) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C65H104N22O21S4/c1-28(2)11-34(52(94)73-31(7)51(93)75-36(13-32-18-69-26-71-32)55(97)81-40(20-88)57(99)79-38(15-47(67)90)56(98)77-35(12-29(3)4)53(95)85-45(25-112)65(107)108)76-54(96)37(14-33-19-70-27-72-33)78-60(102)44(24-111)84-63(105)50(30(5)6)86-62(104)46-9-8-10-87(46)64(106)39(16-48(68)91)80-58(100)41(21-89)82-61(103)43(23-110)83-59(101)42(22-109)74-49(92)17-66/h18-19,26-31,34-46,50,88-89,109-112H,8-17,20-25,66H2,1-7H3,(H2,67,90)(H2,68,91)(H,69,71)(H,70,72)(H,73,94)(H,74,92)(H,75,93)(H,76,96)(H,77,98)(H,78,102)(H,79,99)(H,80,100)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,95)(H,86,104)(H,107,108)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Boise State University Curated by ChEMBL					Assay Description Inhibition of alpha6beta2 nAChR				Bioorg Med Chem 17: 5894-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.005 BindingDB Entry DOI: 10.7270/Q2474DN8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Homo sapiens (Human))	BDBM50567433 (CHEMBL4869892) Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Homo sapiens (Human))	BDBM50567430 (CHEMBL4860756) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-3 (Rattus norvegicus-Rattus norvegicus (Rat))	BDBM50445330 (CHEMBL3104243) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r| Show InChI InChI=1S/C54H82N14O16S4/c1-25(2)17-31-45(75)59-32(18-29-11-13-30(71)14-12-29)46(76)62-34(43(56)73)21-85-87-24-37-50(80)61-33(20-69)47(77)66-42(28(6)70)54(84)68-16-8-10-39(68)53(83)67-15-7-9-38(67)51(81)64-36(23-88-86-22-35(49(79)63-37)58-40(72)19-55)48(78)57-27(5)44(74)65-41(26(3)4)52(82)60-31/h11-14,25-28,31-39,41-42,69-71H,7-10,15-24,55H2,1-6H3,(H2,56,73)(H,57,78)(H,58,72)(H,59,75)(H,60,82)(H,61,80)(H,62,76)(H,63,79)(H,64,81)(H,65,74)(H,66,77)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electroph...				J Med Chem 56: 9655-63 (2014) Article DOI: 10.1021/jm401254c BindingDB Entry DOI: 10.7270/Q22Z171M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6/beta-2 (Homo sapiens (Human))	BDBM50481207 (CHEMBL595286) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C54H85N13O17S4/c1-25(2)17-31(44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(24-88)54(83)84)59-51(80)41(26(3)4)64-43(72)27(5)56-47(76)35(22-86)62-50(79)38-9-7-15-66(38)52(81)39-10-8-16-67(39)53(82)42(28(6)69)65-46(75)33(20-68)60-49(78)36(23-87)61-48(77)34(21-85)57-40(71)19-55/h11-14,25-28,31-39,41-42,68-70,85-88H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Boise State University Curated by ChEMBL					Assay Description Inhibition of alpha6beta2 nAChR				Bioorg Med Chem 17: 5894-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.005 BindingDB Entry DOI: 10.7270/Q2474DN8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606639 (CHEMBL5219016) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Rattus norvegicus (Rat))	BDBM50516324 (CHEMBL4457372) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C69H102N24O20S4/c1-6-32(3)53-66(110)83-40(19-50(71)95)58(102)84-41(17-36-22-74-30-77-36)68(112)93-15-9-11-49(93)65(109)81-38(12-13-52(97)98)57(101)90-54(33(4)7-2)67(111)87-44(55(72)99)25-114-116-28-47-63(107)86-43(24-94)60(104)85-42(18-37-23-75-31-78-37)69(113)92-14-8-10-48(92)64(108)79-34(5)56(100)88-46(27-117-115-26-45(61(105)89-47)80-51(96)20-70)62(106)82-39(59(103)91-53)16-35-21-73-29-76-35/h21-23,29-34,38-49,53-54,94H,6-20,24-28,70H2,1-5H3,(H2,71,95)(H2,72,99)(H,73,76)(H,74,77)(H,75,78)(H,79,108)(H,80,96)(H,81,109)(H,82,106)(H,83,110)(H,84,102)(H,85,104)(H,86,107)(H,87,111)(H,88,100)(H,89,105)(H,90,101)(H,91,103)(H,97,98)/t32-,33-,34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot...				J Med Chem 62: 6262-6275 (2019) Article DOI: 10.1021/acs.jmedchem.9b00566 BindingDB Entry DOI: 10.7270/Q2GQ7231
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Homo sapiens (Human))	BDBM50567432 (CHEMBL4876825) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Rattus norvegicus (Rat))	BDBM50516321 (CHEMBL4577209) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C69H102N24O20S4/c1-6-33(4)54-67(111)84-41(19-51(71)95)59(103)85-42(17-36-22-74-30-77-36)68(112)93-14-8-10-50(93)66(110)81-38(11-12-53(97)98)57(101)82-39(15-32(2)3)58(102)88-45(55(72)99)25-114-116-28-48-64(108)87-44(24-94)61(105)86-43(18-37-23-75-31-78-37)69(113)92-13-7-9-49(92)65(109)79-34(5)56(100)89-47(27-117-115-26-46(62(106)90-48)80-52(96)20-70)63(107)83-40(60(104)91-54)16-35-21-73-29-76-35/h21-23,29-34,38-50,54,94H,6-20,24-28,70H2,1-5H3,(H2,71,95)(H2,72,99)(H,73,76)(H,74,77)(H,75,78)(H,79,109)(H,80,96)(H,81,110)(H,82,101)(H,83,107)(H,84,111)(H,85,103)(H,86,105)(H,87,108)(H,88,102)(H,89,100)(H,90,106)(H,91,104)(H,97,98)/t33-,34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot...				J Med Chem 62: 6262-6275 (2019) Article DOI: 10.1021/acs.jmedchem.9b00566 BindingDB Entry DOI: 10.7270/Q2GQ7231
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606640 (CHEMBL5220467) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCN)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606641 (CHEMBL5219752) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCCN)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Rattus norvegicus (Rat))	BDBM50516308 (CHEMBL4469829) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C72H107N23O21S4/c1-6-36(4)57-70(114)84-41(11-7-8-14-55(98)99)60(104)87-45(21-39-25-76-33-79-39)71(115)95-18-10-13-53(95)69(113)83-42(15-16-56(100)101)61(105)85-43(19-35(2)3)62(106)90-48(58(74)102)28-117-119-31-51-67(111)89-47(27-96)64(108)88-46(22-40-26-77-34-80-40)72(116)94-17-9-12-52(94)68(112)81-37(5)59(103)91-50(30-120-118-29-49(65(109)92-51)82-54(97)23-73)66(110)86-44(63(107)93-57)20-38-24-75-32-78-38/h24-26,32-37,41-53,57,96H,6-23,27-31,73H2,1-5H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,112)(H,82,97)(H,83,113)(H,84,114)(H,85,105)(H,86,110)(H,87,104)(H,88,108)(H,89,111)(H,90,106)(H,91,103)(H,92,109)(H,93,107)(H,98,99)(H,100,101)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot...				J Med Chem 62: 6262-6275 (2019) Article DOI: 10.1021/acs.jmedchem.9b00566 BindingDB Entry DOI: 10.7270/Q2GQ7231
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606645 (CHEMBL5220455) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-6/beta-2 (Homo sapiens (Human))	BDBM50481206 (CHEMBL595311) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C67H106N22O23S4/c1-29(2)12-35(54(98)76-34(9-10-51(95)96)53(97)79-38(15-33-20-72-28-74-33)57(101)83-41(21-90)59(103)81-39(16-48(69)92)58(102)78-36(13-30(3)4)55(99)87-46(26-116)67(111)112)77-56(100)37(14-32-19-71-27-73-32)80-62(106)45(25-115)86-65(109)52(31(5)6)88-64(108)47-8-7-11-89(47)66(110)40(17-49(70)93)82-60(104)42(22-91)84-63(107)44(24-114)85-61(105)43(23-113)75-50(94)18-68/h19-20,27-31,34-47,52,90-91,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,92)(H2,70,93)(H,71,73)(H,72,74)(H,75,94)(H,76,98)(H,77,100)(H,78,102)(H,79,97)(H,80,106)(H,81,103)(H,82,104)(H,83,101)(H,84,107)(H,85,105)(H,86,109)(H,87,99)(H,88,108)(H,95,96)(H,111,112)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Boise State University Curated by ChEMBL					Assay Description Inhibition of alpha6beta2 nAChR				Bioorg Med Chem 17: 5894-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.005 BindingDB Entry DOI: 10.7270/Q2474DN8
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10 (RAT-Rattus norvegicus)	BDBM50606633 (CHEMBL5219936) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606638 (CHEMBL5220113) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Homo sapiens (Human))	BDBM50567431 (CHEMBL4878931) Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response mea...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 (Rattus norvegicus (Rat))	BDBM50567433 (CHEMBL4869892) Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01973 BindingDB Entry DOI: 10.7270/Q2CN77P3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50481206 (CHEMBL595311) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C67H106N22O23S4/c1-29(2)12-35(54(98)76-34(9-10-51(95)96)53(97)79-38(15-33-20-72-28-74-33)57(101)83-41(21-90)59(103)81-39(16-48(69)92)58(102)78-36(13-30(3)4)55(99)87-46(26-116)67(111)112)77-56(100)37(14-32-19-71-27-73-32)80-62(106)45(25-115)86-65(109)52(31(5)6)88-64(108)47-8-7-11-89(47)66(110)40(17-49(70)93)82-60(104)42(22-91)84-63(107)44(24-114)85-61(105)43(23-113)75-50(94)18-68/h19-20,27-31,34-47,52,90-91,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,92)(H2,70,93)(H,71,73)(H,72,74)(H,75,94)(H,76,98)(H,77,100)(H,78,102)(H,79,97)(H,80,106)(H,81,103)(H,82,104)(H,83,101)(H,84,107)(H,85,105)(H,86,109)(H,87,99)(H,88,108)(H,95,96)(H,111,112)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boise State University Curated by ChEMBL					Assay Description Inhibition of alpha3beta2 nAChR				Bioorg Med Chem 17: 5894-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.005 BindingDB Entry DOI: 10.7270/Q2474DN8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50581244 (CHEMBL5086734) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-e...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00802 BindingDB Entry DOI: 10.7270/Q2542SG3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50606644 (CHEMBL5219791) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)CN)[C@@H](C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00512 BindingDB Entry DOI: 10.7270/Q20G3Q8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10 (Homo sapiens (Human))	BDBM50339937 (1,1',1''-(5,5',5''-(benzene-1,3,5-triyl)tris(penta...) Show SMILES C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c1)CC[n+]1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C54H60N3/c1-10-25-49(26-11-1)52-31-19-37-55(43-52)34-16-4-7-22-46-40-47(23-8-5-17-35-56-38-20-32-53(44-56)50-27-12-2-13-28-50)42-48(41-46)24-9-6-18-36-57-39-21-33-54(45-57)51-29-14-3-15-30-51/h1-3,10-15,19-21,25-33,37-45H,4-9,16-18,22-24,34-36H2/q+3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Antagonist activity at alpha9/alpha10 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiolog...				Bioorg Med Chem Lett 21: 2476-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.043 BindingDB Entry DOI: 10.7270/Q2TD9XN9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Rattus norvegicus (Rat))	BDBM50516329 (CHEMBL4467363) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCC(O)=O)NC1=O)[C@@H](C)CC)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C72H107N23O21S4/c1-6-35(3)56-69(113)84-41(12-8-9-15-54(98)99)60(104)86-44(21-39-25-76-33-79-39)71(115)95-19-11-14-52(95)68(112)83-42(16-17-55(100)101)61(105)92-57(36(4)7-2)70(114)89-47(58(74)102)28-117-119-31-50-66(110)88-46(27-96)63(107)87-45(22-40-26-77-34-80-40)72(116)94-18-10-13-51(94)67(111)81-37(5)59(103)90-49(30-120-118-29-48(64(108)91-50)82-53(97)23-73)65(109)85-43(62(106)93-56)20-38-24-75-32-78-38/h24-26,32-37,41-52,56-57,96H,6-23,27-31,73H2,1-5H3,(H2,74,102)(H,75,78)(H,76,79)(H,77,80)(H,81,111)(H,82,97)(H,83,112)(H,84,113)(H,85,109)(H,86,104)(H,87,107)(H,88,110)(H,89,114)(H,90,103)(H,91,108)(H,92,105)(H,93,106)(H,98,99)(H,100,101)/t35-,36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding pot...				J Med Chem 62: 6262-6275 (2019) Article DOI: 10.1021/acs.jmedchem.9b00566 BindingDB Entry DOI: 10.7270/Q2GQ7231
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 496 total )  |  Next  |  Last  >>

Jump to: