Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 21 entry = 50007595   

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
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by ...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Equus caballus (Horse))	BDBM50510841 (CHEMBL4522757) Show SMILES O=C(NCCNc1c2CCCCc2nc2ccccc12)\C=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C31H31N3O2/c35-30(19-16-23-14-17-25(18-15-23)36-22-24-8-2-1-3-9-24)32-20-21-33-31-26-10-4-6-12-28(26)34-29-13-7-5-11-27(29)31/h1-4,6,8-10,12,14-19H,5,7,11,13,20-22H2,(H,32,35)(H,33,34)/b19-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by ...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50510836 (CHEMBL4534662) Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1OCc1ccccc1 Show InChI InChI=1S/C32H33N3O3/c1-37-30-21-23(15-17-29(30)38-22-24-9-3-2-4-10-24)16-18-31(36)33-19-20-34-32-25-11-5-7-13-27(25)35-28-14-8-6-12-26(28)32/h2-5,7,9-11,13,15-18,21H,6,8,12,14,19-20,22H2,1H3,(H,33,36)(H,34,35)/b18-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by ...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair