Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50393249'   

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 (Rattus norvegicus (Rat))	BDBM50393249 (CHEMBL2151441) Show SMILES Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(5.74,.65,;4.2,.81,;3.44,2.15,;1.93,1.84,;1.77,.31,;3.17,-.33,;.43,-.46,;.43,-2,;-.9,.32,;-2.23,-.45,;-3.56,.33,;-4.89,-.44,;-4.89,-1.98,;-3.56,-2.75,;-4.3,-1.39,;-2.81,-1,;-2.23,-1.98,;-.9,-2.76,;-.9,-4.3,;-2.24,-5.06,;-2.24,-6.6,;-.91,-7.37,;.43,-6.6,;.43,-5.06,)| Show InChI InChI=1S/C19H23N3OS/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from alpha7 nAChR in rat hippocampal synaptosomes				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393249 (CHEMBL2151441) Show SMILES Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(5.74,.65,;4.2,.81,;3.44,2.15,;1.93,1.84,;1.77,.31,;3.17,-.33,;.43,-.46,;.43,-2,;-.9,.32,;-2.23,-.45,;-3.56,.33,;-4.89,-.44,;-4.89,-1.98,;-3.56,-2.75,;-4.3,-1.39,;-2.81,-1,;-2.23,-1.98,;-.9,-2.76,;-.9,-4.3,;-2.24,-5.06,;-2.24,-6.6,;-.91,-7.37,;.43,-6.6,;.43,-5.06,)| Show InChI InChI=1S/C19H23N3OS/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393249 (CHEMBL2151441) Show SMILES Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(5.74,.65,;4.2,.81,;3.44,2.15,;1.93,1.84,;1.77,.31,;3.17,-.33,;.43,-.46,;.43,-2,;-.9,.32,;-2.23,-.45,;-3.56,.33,;-4.89,-.44,;-4.89,-1.98,;-3.56,-2.75,;-4.3,-1.39,;-2.81,-1,;-2.23,-1.98,;-.9,-2.76,;-.9,-4.3,;-2.24,-5.06,;-2.24,-6.6,;-.91,-7.37,;.43,-6.6,;.43,-5.06,)| Show InChI InChI=1S/C19H23N3OS/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair