Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50015025   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582079 (CHEMBL5091959) Show SMILES Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582080 (CHEMBL5089279) Show SMILES Clc1ccc2c(NCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582081 (CHEMBL5087842) Show SMILES Clc1ccc2c(NCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582082 (CHEMBL5084050) Show SMILES Clc1ccc2c(NCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582084 (CHEMBL5085880) Show SMILES Clc1ccc2c(NCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582083 (CHEMBL5084158) Show SMILES Clc1ccc2c(NCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582078 (CHEMBL5089868) Show SMILES Clc1ccc2c(NCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582085 (CHEMBL5092574) Show SMILES Clc1ccc2c(NCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50582086 (CHEMBL5081945) Show SMILES Clc1ccc2c(NCCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	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)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582079 (CHEMBL5091959) Show SMILES Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582080 (CHEMBL5089279) Show SMILES Clc1ccc2c(NCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582078 (CHEMBL5089868) Show SMILES Clc1ccc2c(NCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582081 (CHEMBL5087842) Show SMILES Clc1ccc2c(NCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582082 (CHEMBL5084050) Show SMILES Clc1ccc2c(NCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	574	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582083 (CHEMBL5084158) Show SMILES Clc1ccc2c(NCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	893	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582085 (CHEMBL5092574) Show SMILES Clc1ccc2c(NCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582084 (CHEMBL5085880) Show SMILES Clc1ccc2c(NCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582084 (CHEMBL5085880) Show SMILES Clc1ccc2c(NCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582078 (CHEMBL5089868) Show SMILES Clc1ccc2c(NCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582085 (CHEMBL5092574) Show SMILES Clc1ccc2c(NCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582086 (CHEMBL5081945) Show SMILES Clc1ccc2c(NCCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50582086 (CHEMBL5081945) Show SMILES Clc1ccc2c(NCCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582083 (CHEMBL5084158) Show SMILES Clc1ccc2c(NCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582081 (CHEMBL5087842) Show SMILES Clc1ccc2c(NCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582080 (CHEMBL5089279) Show SMILES Clc1ccc2c(NCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582079 (CHEMBL5091959) Show SMILES Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582082 (CHEMBL5084050) Show SMILES Clc1ccc2c(NCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113827 BindingDB Entry DOI: 10.7270/Q2222ZP7
					More data for this Ligand-Target Pair