Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'durkin' and Initial = 'ka'   

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
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4| Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487224 (CHEMBL2252498) Show SMILES [O-][N+](=O)\N=C1\N(Cc2ccc(CN3CCN(Cc4ccc(Cl)nc4)\C3=N/[N+]([O-])=O)o2)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C24H24Cl2N10O5/c25-21-5-1-17(11-27-21)13-31-7-9-33(23(31)29-35(37)38)15-19-3-4-20(41-19)16-34-10-8-32(24(34)30-36(39)40)14-18-2-6-22(26)28-12-18/h1-6,11-12H,7-10,13-16H2/b29-23+,30-24+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487219 (CHEMBL2252497) Show SMILES [O-][N+](=O)\N=C1\N(Cc2ccc(CN3CCN(Cc4ccc(Cl)nc4)\C3=N/[N+]([O-])=O)s2)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C24H24Cl2N10O4S/c25-21-5-1-17(11-27-21)13-31-7-9-33(23(31)29-35(37)38)15-19-3-4-20(41-19)16-34-10-8-32(24(34)30-36(39)40)14-18-2-6-22(26)28-12-18/h1-6,11-12H,7-10,13-16H2/b29-23+,30-24+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487229 (CHEMBL2252496) Show SMILES [O-][N+](=O)\N=C1\N(CCOCCN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C22H26Cl2N10O5/c23-19-3-1-17(13-25-19)15-31-7-5-29(21(31)27-33(35)36)9-11-39-12-10-30-6-8-32(22(30)28-34(37)38)16-18-2-4-20(24)26-14-18/h1-4,13-14H,5-12,15-16H2/b27-21-,28-22-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487226 (CHEMBL2252501) Show SMILES [O-][N+](=O)\N=C1/N(Cc2ccc(Cl)nc2)CCN1Cc1ccccc1-c1ccccc1CN1CCN(Cc2ccc(Cl)nc2)\C1=N/[N+]([O-])=O Show InChI InChI=1S/C32H30Cl2N10O4/c33-29-11-9-23(17-35-29)19-39-13-15-41(31(39)37-43(45)46)21-25-5-1-3-7-27(25)28-8-4-2-6-26(28)22-42-16-14-40(32(42)38-44(47)48)20-24-10-12-30(34)36-18-24/h1-12,17-18H,13-16,19-22H2/b37-31+,38-32+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487222 (CHEMBL2252352) Show SMILES CC(C)(CCN1CCN(Cc2ccc(Cl)nc2)\C1=N/[N+]([O-])=O)CCN1CCN(Cc2ccc(Cl)nc2)\C1=N/[N+]([O-])=O Show InChI InChI=1S/C25H32Cl2N10O4/c1-25(2,7-9-32-11-13-34(23(32)30-36(38)39)17-19-3-5-21(26)28-15-19)8-10-33-12-14-35(24(33)31-37(40)41)18-20-4-6-22(27)29-16-20/h3-6,15-16H,7-14,17-18H2,1-2H3/b30-23-,31-24-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487231 (CHEMBL2252353) Show SMILES [O-][N+](=O)\N=C1\N(CC(=O)OCCOC(=O)CN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C24H26Cl2N10O8/c25-19-3-1-17(11-27-19)13-31-5-7-33(23(31)29-35(39)40)15-21(37)43-9-10-44-22(38)16-34-8-6-32(24(34)30-36(41)42)14-18-2-4-20(26)28-12-18/h1-4,11-12H,5-10,13-16H2/b29-23+,30-24+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487227 (CHEMBL447459) Show SMILES [O-][N+](=O)\N=C1\N(Cc2ccc(CN3CCN(Cc4ccc(Cl)nc4)\C3=N/[N+]([O-])=O)cc2)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C26H26Cl2N10O4/c27-23-7-5-21(13-29-23)17-35-11-9-33(25(35)31-37(39)40)15-19-1-2-20(4-3-19)16-34-10-12-36(26(34)32-38(41)42)18-22-6-8-24(28)30-14-22/h1-8,13-14H,9-12,15-18H2/b31-25-,32-26-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487225 (CHEMBL2252499) Show SMILES [O-][N+](=O)\N=C1/N(Cc2ccc(Cl)nc2)CCN1Cc1cncc(CN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25Cl2N11O4/c26-22-3-1-18(12-29-22)14-33-5-7-35(24(33)31-37(39)40)16-20-9-21(11-28-10-20)17-36-8-6-34(25(36)32-38(41)42)15-19-2-4-23(27)30-13-19/h1-4,9-13H,5-8,14-17H2/b31-24+,32-25+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487223 (CHEMBL2252495) Show SMILES [O-][N+](=O)\N=C1\N(CCCOCCCN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C24H30Cl2N10O5/c25-21-5-3-19(15-27-21)17-33-11-9-31(23(33)29-35(37)38)7-1-13-41-14-2-8-32-10-12-34(24(32)30-36(39)40)18-20-4-6-22(26)28-16-20/h3-6,15-16H,1-2,7-14,17-18H2/b29-23-,30-24-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487232 (CHEMBL2252503) Show SMILES [O-][N+](=O)\N=C1/N(Cc2ccc(Cl)nc2)CCN1Cc1cccc(CN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)c1 Show InChI InChI=1S/C26H26Cl2N10O4/c27-23-6-4-21(13-29-23)17-35-10-8-33(25(35)31-37(39)40)15-19-2-1-3-20(12-19)16-34-9-11-36(26(34)32-38(41)42)18-22-5-7-24(28)30-14-22/h1-7,12-14H,8-11,15-18H2/b31-25-,32-26-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487220 (CHEMBL2252350) Show SMILES FC(F)(F)C(=O)\N=C1\N(CCCCCCCN2CCN(Cc3ccc(Cl)nc3)\C2=N\C(=O)C(F)(F)F)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C29H32Cl2F6N8O2/c30-22-8-6-20(16-38-22)18-44-14-12-42(26(44)40-24(46)28(32,33)34)10-4-2-1-3-5-11-43-13-15-45(19-21-7-9-23(31)39-17-21)27(43)41-25(47)29(35,36)37/h6-9,16-17H,1-5,10-15,18-19H2/b40-26-,41-27+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487233 (CHEMBL2252500) Show SMILES [O-][N+](=O)\N=C1/N(Cc2ccc(Cl)nc2)CCN1Cc1cccc(CN2CCN(Cc3ccc(Cl)nc3)\C2=N/[N+]([O-])=O)n1 Show InChI InChI=1S/C25H25Cl2N11O4/c26-22-6-4-18(12-28-22)14-33-8-10-35(24(33)31-37(39)40)16-20-2-1-3-21(30-20)17-36-11-9-34(25(36)32-38(41)42)15-19-5-7-23(27)29-13-19/h1-7,12-13H,8-11,14-17H2/b31-24+,32-25+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487228 (CHEMBL2252504) Show SMILES FC(F)(F)C(=O)\N=C1\N(CCCCCN2CCN(Cc3ccc(Cl)nc3)\C2=N\C(=O)C(F)(F)F)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C27H28Cl2F6N8O2/c28-20-6-4-18(14-36-20)16-42-12-10-40(24(42)38-22(44)26(30,31)32)8-2-1-3-9-41-11-13-43(17-19-5-7-21(29)37-15-19)25(41)39-23(45)27(33,34)35/h4-7,14-15H,1-3,8-13,16-17H2/b38-24-,39-25+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487230 (CHEMBL2252502) Show SMILES [O-][N+](=O)\N=C1\N(Cc2ccc(Cc3ccc(CN4CCN(Cc5ccc(Cl)nc5)\C4=N/[N+]([O-])=O)cc3)cc2)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C33H32Cl2N10O4/c34-30-11-9-28(18-36-30)22-42-15-13-40(32(42)38-44(46)47)20-26-5-1-24(2-6-26)17-25-3-7-27(8-4-25)21-41-14-16-43(33(41)39-45(48)49)23-29-10-12-31(35)37-19-29/h1-12,18-19H,13-17,20-23H2/b38-32-,39-33-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487218 (CHEMBL2252349) Show SMILES FC(F)(F)C(=O)\N=C1\N(CCCCCCCCN2CCN(Cc3ccc(Cl)nc3)\C2=N/C(=O)C(F)(F)F)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C30H34Cl2F6N8O2/c31-23-9-7-21(17-39-23)19-45-15-13-43(27(45)41-25(47)29(33,34)35)11-5-3-1-2-4-6-12-44-14-16-46(20-22-8-10-24(32)40-18-22)28(44)42-26(48)30(36,37)38/h7-10,17-18H,1-6,11-16,19-20H2/b41-27-,42-28-	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50487221 (CHEMBL2252351) Show SMILES FC(F)(F)C(=O)\N=C1\N(CCCCCCN2CCN(Cc3ccc(Cl)nc3)\C2=N\C(=O)C(F)(F)F)CCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C28H30Cl2F6N8O2/c29-21-7-5-19(15-37-21)17-43-13-11-41(25(43)39-23(45)27(31,32)33)9-3-1-2-4-10-42-12-14-44(18-20-6-8-22(30)38-16-20)26(42)40-24(46)28(34,35)36/h5-8,15-16H,1-4,9-14,17-18H2/b39-25-,40-26+	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor				J Agric Food Chem 58: 11832-6 (2010) Article DOI: 10.1021/jf102819n BindingDB Entry DOI: 10.7270/Q2M61P38
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50023331 ((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...) Show SMILES C1CC2NC1CCc1ccncc21 Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50023328 (3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...) Show SMILES C1CNC(C1)c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50034694 (3-{[1-((S)-2-Acetylamino-6-amino-hexanoyl)-piperid...) Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N1CCCC(C1)C(=O)NCCC(O)=O Show InChI InChI=1S/C17H30N4O5/c1-12(22)20-14(6-2-3-8-18)17(26)21-10-4-5-13(11-21)16(25)19-9-7-15(23)24/h13-14H,2-11,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)/t13?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Fibrinogen Receptor				Bioorg Med Chem Lett 4: 1361-1364 (1994) Article DOI: 10.1016/S0960-894X(01)80362-0 BindingDB Entry DOI: 10.7270/Q2028RH5
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Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251867 (CHEMBL518310 | N-(3-((6-chloropyridin-3-yl)methyl)...) Show SMILES FC(F)(F)C(=O)\N=c1/sccn1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C11H7ClF3N3OS/c12-8-2-1-7(5-16-8)6-18-3-4-20-10(18)17-9(19)11(13,14)15/h1-5H,6H2/b17-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				J Med Chem 51: 4213-8 (2008) Article DOI: 10.1021/jm800191a BindingDB Entry DOI: 10.7270/Q2D21XDZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				J Med Chem 51: 4213-8 (2008) Article DOI: 10.1021/jm800191a BindingDB Entry DOI: 10.7270/Q2D21XDZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50252631 (CHEMBL494278 | N-(3-((6-chloropyridin-3-yl)methyl)...) Show SMILES Clc1ccc(Cn2ccs\c2=N/C(=O)c2cnccn2)cn1 Show InChI InChI=1S/C14H10ClN5OS/c15-12-2-1-10(7-18-12)9-20-5-6-22-14(20)19-13(21)11-8-16-3-4-17-11/h1-8H,9H2/b19-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				J Med Chem 51: 4213-8 (2008) Article DOI: 10.1021/jm800191a BindingDB Entry DOI: 10.7270/Q2D21XDZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Gallus gallus)	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4| Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from chick alpha4beta2 nAChR				J Med Chem 51: 4213-8 (2008) Article DOI: 10.1021/jm800191a BindingDB Entry DOI: 10.7270/Q2D21XDZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50160557 (5-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca-...) Show SMILES Cc1cc2CCC3CCC(N3)c2cn1 Show InChI InChI=1S/C12H16N2/c1-8-6-9-2-3-10-4-5-12(14-10)11(9)7-13-8/h6-7,10,12,14H,2-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50023331 ((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...) Show SMILES C1CC2NC1CCc1ccncc21 Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50023328 (3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...) Show SMILES C1CNC(C1)c1cccnc1 Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3				Bioorg Med Chem Lett 15: 877-81 (2005) Article DOI: 10.1016/j.bmcl.2004.12.069 BindingDB Entry DOI: 10.7270/Q2057FDR
					More data for this Ligand-Target Pair				3D Structure (crystal)