Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50042378   

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
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50425041 (CHEMBL2312565) Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r| Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50425042 ((R)-3-(Dimethylamino)Butyl Dimethylcarbamate | CHE...) Show SMILES C[C@H](CCOC(=O)N(C)C)N(C)C |r| Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50425040 (CHEMBL2312564) Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r| Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...				J Med Chem 56: 940-51 (2013) Article DOI: 10.1021/jm301409f BindingDB Entry DOI: 10.7270/Q2RJ4KST
					More data for this Ligand-Target Pair