Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50472783'   

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))	BDBM50472783 (CHEMBL2112068) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [125I]-alpha-BGT as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472783 (CHEMBL2112068) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha7 nAChR (nicotinic acetylcholine receptor) using [3H]-MLA as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50472783 (CHEMBL2112068) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc(I)ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,18:21:25.26.24:47.51.48,19:18:10.3.5:51,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12| Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [3H]epibatidine as a radioligand relative to alpha4-beta2				J Med Chem 43: 142-5 (2000) Article DOI: 10.1021/jm990544f BindingDB Entry DOI: 10.7270/Q2G163KF
					More data for this Ligand-Target Pair