Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'hatat' and Initial = 'b'   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM28583 (5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6 receptor expressed in BHK cell membrane measured after 60 mins by scintillation counter method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50562651 (CHEMBL4788250) Show SMILES Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50019754 (IDALOPIRDINE | LU-AE58054) Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50562651 (CHEMBL4788250) Show SMILES Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515600 (CHEMBL4580044) Show SMILES COc1ccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1O Show InChI InChI=1S/C23H29ClN2O4/c1-29-22-6-4-16(11-21(22)28)14-26-9-7-15(8-10-26)3-5-20(27)17-12-18(24)19(25)13-23(17)30-2/h4,6,11-13,15,28H,3,5,7-10,14,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515599 (CHEMBL4457426) Show SMILES COc1cc(\C=C\C(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O Show InChI InChI=1S/C27H34ClN3O5/c1-35-25-17-22(29)21(28)16-20(25)23(32)6-3-18-9-12-31(13-10-18)14-11-30-27(34)8-5-19-4-7-24(33)26(15-19)36-2/h4-5,7-8,15-18,33H,3,6,9-14,29H2,1-2H3,(H,30,34)/b8-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagen...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
Acetylcholinesterase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE assessed as reduction in 5-thio-2-nitrobenzoate anion formation using acetylthiocholine iodide as substrate pre...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515600 (CHEMBL4580044) Show SMILES COc1ccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1O Show InChI InChI=1S/C23H29ClN2O4/c1-29-22-6-4-16(11-21(22)28)14-26-9-7-15(8-10-26)3-5-20(27)17-12-18(24)19(25)13-23(17)30-2/h4,6,11-13,15,28H,3,5,7-10,14,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia 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
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Cholinesterase (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	PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based El...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515599 (CHEMBL4457426) Show SMILES COc1cc(\C=C\C(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O Show InChI InChI=1S/C27H34ClN3O5/c1-35-25-17-22(29)21(28)16-20(25)23(32)6-3-18-9-12-31(13-10-18)14-11-30-27(34)8-5-19-4-7-24(33)26(15-19)36-2/h4-5,7-8,15-18,33H,3,6,9-14,29H2,1-2H3,(H,30,34)/b8-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE assessed as reduction in 5-thio-2-nitrobenzoate anion formation using acetylthiocholine iodide as substrate pre...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50515601 (CHEMBL4527729) Show SMILES COc1cc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O Show InChI InChI=1S/C23H29ClN2O4/c1-29-22-13-19(25)18(24)12-17(22)20(27)5-3-15-7-9-26(10-8-15)14-16-4-6-21(28)23(11-16)30-2/h4,6,11-13,15,28H,3,5,7-10,14,25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	535	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE assessed as reduction in 5-thio-2-nitrobenzoate anion formation using acetylthiocholine iodide as substrate pre...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50562650 (CHEMBL4744490) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 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	835	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based El...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50562650 (CHEMBL4744490) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 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	927	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based El...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50019754 (IDALOPIRDINE | LU-AE58054) Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as inhibition of 5HT-induced cAMP accumulation preincubated for 7 mins f...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50562651 (CHEMBL4788250) Show SMILES Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as inhibition of 5HT-induced cAMP accumulation preincubated for 7 mins f...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by D...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50344263 ((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...) Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 |r| Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based El...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50562650 (CHEMBL4744490) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagen...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50562650 (CHEMBL4744490) Show SMILES CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagen...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113059 BindingDB Entry DOI: 10.7270/Q2KP85V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515600 (CHEMBL4580044) Show SMILES COc1ccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1O Show InChI InChI=1S/C23H29ClN2O4/c1-29-22-6-4-16(11-21(22)28)14-26-9-7-15(8-10-26)3-5-20(27)17-12-18(24)19(25)13-23(17)30-2/h4,6,11-13,15,28H,3,5,7-10,14,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515599 (CHEMBL4457426) Show SMILES COc1cc(\C=C\C(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O Show InChI InChI=1S/C27H34ClN3O5/c1-35-25-17-22(29)21(28)16-20(25)23(32)6-3-18-9-12-31(13-10-18)14-11-30-27(34)8-5-19-4-7-24(33)26(15-19)36-2/h4-5,7-8,15-18,33H,3,6,9-14,29H2,1-2H3,(H,30,34)/b8-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair