Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'goldoni' and Initial = 'l'   

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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50007674 ((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...) Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398926 (CHEMBL2178786) Show SMILES COc1ccc2CN(CCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:26:24:28:19.18.20,26:19:28:24.27.23,THB:16:17:23:19.26.20,18:17:23:19.26.20,18:19:17.27.28:23,25:24:28:19.18.20| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37-15-8-6-4-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-3)11-10-27(22-38)31(32)36/h10-13,26,28,30,37,39H,4-9,14-25H2,1-3H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398918 (CHEMBL2178778) Show SMILES COc1ccc2CN(CCCNCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:25:22.20.19,21:20:17:25.26.23,24:23:17.16.27:19,THB:26:16:25.23.22:19,26:23:17.16.27:19,27:20:25:17.16.26,22:23:17:27.20.19,22:20:17:25.26.23,21:20:25:17.16.26,24:23:17:27.20.19| Show InChI InChI=1S/C34H51N3O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)36-13-4-11-35-12-5-14-37-15-10-34-9-8-26(38)16-28(34)40-30-27(39-3)7-6-25(20-37)29(30)34/h6-9,24,26,28,35-36,38H,4-5,10-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398928 (CHEMBL2178784) Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21| Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398924 (CHEMBL2178788) Show SMILES COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19| Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36(3)14-7-5-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-4)10-9-26(21-37)30(31)35/h9-12,25,27,29,38H,5-8,13-24H2,1-4H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551183 (CHEMBL4747846) Show SMILES Oc1ccc(cc1)-c1ccc(-c2cc(O)cc(O)c2)c(c1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398915 (CHEMBL2178781) Show SMILES COc1ccc2CN(CCCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:19.20.22:25,24:23:17:19.27.20,21:20:17.16.26:25,THB:27:20:17.16.26:25,24:23:19:17.16.27,26:16:19:22.23.25,26:23:19:17.16.27,22:20:17:26.23.25,22:23:17:19.27.20,15:16:19:22.23.25,15:16:19.20.22:25,21:20:17:26.23.25| Show InChI InChI=1S/C34H48N2O4/c1-31-16-23-17-32(2,20-31)22-33(18-23,21-31)35-28(38)7-5-4-6-13-36-14-12-34-11-10-25(37)15-27(34)40-30-26(39-3)9-8-24(19-36)29(30)34/h8-11,23,25,27,37H,4-7,12-22H2,1-3H3,(H,35,38)/t23?,25-,27-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398927 (CHEMBL2178785) Show SMILES COc1ccc2CN(CCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:15:16:22:18.25.19,25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22| Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36-14-7-5-4-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-3)10-9-26(21-37)30(31)35/h9-12,25,27,29,36,38H,4-8,13-24H2,1-3H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551184 (CHEMBL4797185) Show SMILES Cn1cnc2c(N)nc(CCc3ccccc3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551180 (CHEMBL4760251) Show SMILES O=C1CCCCCNCc2ccc(Cc3ccc(CNCCCCCC(=O)N(Cc4ccccc4)CCCCCCCCN1Cc1ccccc1)cc3)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551177 (CHEMBL4762279) Show SMILES Nc1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551178 (CHEMBL4785591) Show SMILES O=C1CCCCCNCc2ccc(cc2)-c2ccc(CNCCCCCC(=O)N(Cc3ccccc3)CCCCCCCCN1Cc1ccccc1)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551181 (CHEMBL54725) Show SMILES COc1ccccc1CNCc1ccc(CNCCCCCCCCCCCCNCc2ccc(CNCc3ccccc3OC)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398929 (CHEMBL2178783) Show SMILES COc1ccc2CN(CCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:13:14:20:16.23.17,23:21:25:16.15.17,23:16:25:21.24.20,THB:15:14:20:16.23.17,15:16:14.24.25:20,22:21:25:16.15.17| Show InChI InChI=1S/C33H48N2O3/c1-30-16-23-17-31(2,20-30)22-32(18-23,21-30)34-12-5-4-6-13-35-14-11-33-10-9-25(36)15-27(33)38-29-26(37-3)8-7-24(19-35)28(29)33/h7-10,23,25,27,34,36H,4-6,11-22H2,1-3H3/t23?,25-,27-,30?,31?,32?,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398922 (CHEMBL2178790) Show SMILES COc1ccc2CN(CCCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:29:18:21.22.24:27,23:22:19.18.28:27,26:25:19:21.29.22,THB:29:22:19.18.28:27,28:18:21:24.25.27,28:25:21:19.18.29,24:22:19:28.25.27,24:25:19:21.29.22,16:18:21:24.25.27,16:18:21.22.24:27| Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38(3)16-9-7-5-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-4)12-11-28(23-39)32(33)37/h11-14,27,29,31,40H,5-10,15-26H2,1-4H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398923 (CHEMBL2178789) Show SMILES COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37(3)15-8-6-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-4)11-10-27(22-38)31(32)36/h10-13,26,28,30,39H,5-9,14-25H2,1-4H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398925 (CHEMBL2178787) Show SMILES COc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21| Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38-16-9-7-5-4-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-3)12-11-28(23-39)32(33)37/h11-14,27,29,31,38,40H,4-10,15-26H2,1-3H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398930 (CHEMBL2178782) Show SMILES COc1ccc2CN(CCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31,TLB:22:20:24:15.14.16,22:15:24:20.23.19,THB:21:20:24:15.14.16,14:13:19:15.22.16,14:15:13.23.24:19,12:13:19:15.22.16| Show InChI InChI=1S/C32H46N2O3/c1-29-15-22-16-30(2,19-29)21-31(17-22,20-29)33-11-4-5-12-34-13-10-32-9-8-24(35)14-26(32)37-28-25(36-3)7-6-23(18-34)27(28)32/h6-9,22,24,26,33,35H,4-5,10-21H2,1-3H3/t22?,24-,26-,29?,30?,31?,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50062599 (3,5-Dimethyl-adamantan-1-ylamine | CHEMBL807 | EN3...) Show SMILES CC12CC3CC(C)(C1)CC(N)(C3)C2 |TLB:7:1:4.5.8:11,10:9:4:2.7.1,0:1:4:8.9.11,THB:7:5:11:2.1.12,12:1:4:8.9.11,12:9:4:2.7.1,6:5:11:2.1.12| Show InChI InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50030386 ((1S)-1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10...) Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50062821 (6-Benzyloxy-pyrimidine-2,4-diamine | CHEMBL121445) Show SMILES Nc1cc(OCc2ccccc2)nc(N)n1 Show InChI InChI=1S/C11H12N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551173 (CHEMBL4753331) Show SMILES COc1ccc(COc2cc(N)nc(N)n2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551174 (CHEMBL158919) Show SMILES Nc1cc(NCc2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551175 (CHEMBL1993081) Show SMILES Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551176 (CHEMBL4748094) Show SMILES Nc1cc(NCc2ccc(F)cc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551179 (CHEMBL4778279) Show SMILES O=C1CCCCCNCc2ccc(CNCCCCCC(=O)N(Cc3ccccc3)CCCCCCCCN1Cc1ccccc1)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551182 (CHEMBL4754292) Show SMILES [H][C@@]12CCN(CCCCCCN)[C@]1([H])c1ccccc1OC2 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398921 (CHEMBL2178791) Show SMILES COc1ccc2CN(CCOCCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:28:17:26:23.21.20,25:24:18.17.28:20,22:21:18:26.27.24,THB:23:24:18:28.21.20,23:21:18:26.27.24,28:21:26:18.17.27,25:24:18:28.21.20,22:21:26:18.17.27,27:17:26.24.23:20,27:24:18.17.28:20| Show InChI InChI=1S/C34H50N2O5/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-9-12-39-14-15-40-13-11-36-10-8-34-7-6-26(37)16-28(34)41-30-27(38-3)5-4-25(20-36)29(30)34/h4-7,24,26,28,35,37H,8-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398920 (CHEMBL2178776) Show SMILES COc1ccc2CN(CCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24| Show InChI InChI=1S/C32H46N2O4/c1-29-15-22-16-30(2,19-29)21-31(17-22,20-29)33-9-12-37-13-11-34-10-8-32-7-6-24(35)14-26(32)38-28-25(36-3)5-4-23(18-34)27(28)32/h4-7,22,24,26,33,35H,8-21H2,1-3H3/t22?,24-,26-,29?,30?,31?,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398919 (CHEMBL2178777) Show SMILES COc1ccc2CN(CCSCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24| Show InChI InChI=1S/C32H46N2O3S/c1-29-15-22-16-30(2,19-29)21-31(17-22,20-29)33-9-12-38-13-11-34-10-8-32-7-6-24(35)14-26(32)37-28-25(36-3)5-4-23(18-34)27(28)32/h4-7,22,24,26,33,35H,8-21H2,1-3H3/t22?,24-,26-,29?,30?,31?,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50386758 (CHEMBL2046893) Show SMILES Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H24F2N2/c24-20-8-12-22(13-9-20)27(23-14-10-21(25)11-15-23)18-17-26-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,26H,4,7,16-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398916 (CHEMBL2178780) Show SMILES COc1ccc2CN(CCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:26:15:24:21.19.18,20:19:16:24.25.22,23:22:16.15.26:18,THB:25:15:24.22.21:18,25:22:16.15.26:18,26:19:24:16.15.25,21:22:16:26.19.18,21:19:16:24.25.22,20:19:24:16.15.25,23:22:16:26.19.18| Show InChI InChI=1S/C33H46N2O4/c1-30-15-22-16-31(2,19-30)21-32(17-22,20-30)34-27(37)6-4-5-12-35-13-11-33-10-9-24(36)14-26(33)39-29-25(38-3)8-7-23(18-35)28(29)33/h7-10,22,24,26,36H,4-6,11-21H2,1-3H3,(H,34,37)/t22?,24-,26-,30?,31?,32?,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50398917 (CHEMBL2178779) Show SMILES COc1ccc2CN(CCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,13:14:23:20.18.17,13:14:23.21.20:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,20:21:15:25.18.17,20:18:15:23.24.21,24:14:23.21.20:17,24:21:15.14.25:17,22:21:15:25.18.17,25:18:23:15.14.24| Show InChI InChI=1S/C32H44N2O4/c1-29-14-21-15-30(2,18-29)20-31(16-21,19-29)33-26(36)5-4-11-34-12-10-32-9-8-23(35)13-25(32)38-28-24(37-3)7-6-22(17-34)27(28)32/h6-9,21,23,25,35H,4-5,10-20H2,1-3H3,(H,33,36)/t21?,23-,25-,29?,30?,31?,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398922 (CHEMBL2178790) Show SMILES COc1ccc2CN(CCCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:29:18:21.22.24:27,23:22:19.18.28:27,26:25:19:21.29.22,THB:29:22:19.18.28:27,28:18:21:24.25.27,28:25:21:19.18.29,24:22:19:28.25.27,24:25:19:21.29.22,16:18:21:24.25.27,16:18:21.22.24:27| Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38(3)16-9-7-5-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-4)12-11-28(23-39)32(33)37/h11-14,27,29,31,40H,5-10,15-26H2,1-4H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398924 (CHEMBL2178788) Show SMILES COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19| Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36(3)14-7-5-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-4)10-9-26(21-37)30(31)35/h9-12,25,27,29,38H,5-8,13-24H2,1-4H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398928 (CHEMBL2178784) Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21| Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398923 (CHEMBL2178789) Show SMILES COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37(3)15-8-6-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-4)11-10-27(22-38)31(32)36/h10-13,26,28,30,39H,5-9,14-25H2,1-4H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398927 (CHEMBL2178785) Show SMILES COc1ccc2CN(CCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:15:16:22:18.25.19,25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22| Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36-14-7-5-4-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-3)10-9-26(21-37)30(31)35/h9-12,25,27,29,36,38H,4-8,13-24H2,1-3H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398925 (CHEMBL2178787) Show SMILES COc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21| Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38-16-9-7-5-4-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-3)12-11-28(23-39)32(33)37/h11-14,27,29,31,38,40H,4-10,15-26H2,1-3H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398929 (CHEMBL2178783) Show SMILES COc1ccc2CN(CCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:13:14:20:16.23.17,23:21:25:16.15.17,23:16:25:21.24.20,THB:15:14:20:16.23.17,15:16:14.24.25:20,22:21:25:16.15.17| Show InChI InChI=1S/C33H48N2O3/c1-30-16-23-17-31(2,20-30)22-32(18-23,21-30)34-12-5-4-6-13-35-14-11-33-10-9-25(36)15-27(33)38-29-26(37-3)8-7-24(19-35)28(29)33/h7-10,23,25,27,34,36H,4-6,11-22H2,1-3H3/t23?,25-,27-,30?,31?,32?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.31	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398926 (CHEMBL2178786) Show SMILES COc1ccc2CN(CCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:26:24:28:19.18.20,26:19:28:24.27.23,THB:16:17:23:19.26.20,18:17:23:19.26.20,18:19:17.27.28:23,25:24:28:19.18.20| Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37-15-8-6-4-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-3)11-10-27(22-38)31(32)36/h10-13,26,28,30,37,39H,4-9,14-25H2,1-3H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.36	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398915 (CHEMBL2178781) Show SMILES COc1ccc2CN(CCCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:19.20.22:25,24:23:17:19.27.20,21:20:17.16.26:25,THB:27:20:17.16.26:25,24:23:19:17.16.27,26:16:19:22.23.25,26:23:19:17.16.27,22:20:17:26.23.25,22:23:17:19.27.20,15:16:19:22.23.25,15:16:19.20.22:25,21:20:17:26.23.25| Show InChI InChI=1S/C34H48N2O4/c1-31-16-23-17-32(2,20-31)22-33(18-23,21-31)35-28(38)7-5-4-6-13-36-14-12-34-11-10-25(37)15-27(34)40-30-26(39-3)9-8-24(19-36)29(30)34/h8-11,23,25,27,37H,4-7,12-22H2,1-3H3,(H,35,38)/t23?,25-,27-,31?,32?,33?,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398917 (CHEMBL2178779) Show SMILES COc1ccc2CN(CCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,13:14:23:20.18.17,13:14:23.21.20:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,20:21:15:25.18.17,20:18:15:23.24.21,24:14:23.21.20:17,24:21:15.14.25:17,22:21:15:25.18.17,25:18:23:15.14.24| Show InChI InChI=1S/C32H44N2O4/c1-29-14-21-15-30(2,18-29)20-31(16-21,19-29)33-26(36)5-4-11-34-12-10-32-9-8-23(35)13-25(32)38-28-24(37-3)7-6-22(17-34)27(28)32/h6-9,21,23,25,35H,4-5,10-20H2,1-3H3,(H,33,36)/t21?,23-,25-,29?,30?,31?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.7	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398921 (CHEMBL2178791) Show SMILES COc1ccc2CN(CCOCCOCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:28:17:26:23.21.20,25:24:18.17.28:20,22:21:18:26.27.24,THB:23:24:18:28.21.20,23:21:18:26.27.24,28:21:26:18.17.27,25:24:18:28.21.20,22:21:26:18.17.27,27:17:26.24.23:20,27:24:18.17.28:20| Show InChI InChI=1S/C34H50N2O5/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-9-12-39-14-15-40-13-11-36-10-8-34-7-6-26(37)16-28(34)41-30-27(38-3)5-4-25(20-36)29(30)34/h4-7,24,26,28,35,37H,8-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80.9	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398919 (CHEMBL2178777) Show SMILES COc1ccc2CN(CCSCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,TLB:19:18:15:23.24.21,22:21:15.14.25:17,25:14:23:20.18.17,THB:19:18:23:15.14.24,22:21:15:25.18.17,24:14:23.21.20:17,24:21:15.14.25:17,20:21:15:25.18.17,20:18:15:23.24.21,25:18:23:15.14.24| Show InChI InChI=1S/C32H46N2O3S/c1-29-15-22-16-30(2,19-29)21-31(17-22,20-29)33-9-12-38-13-11-34-10-8-32-7-6-24(35)14-26(32)37-28-25(36-3)5-4-23(18-34)27(28)32/h4-7,22,24,26,33,35H,8-21H2,1-3H3/t22?,24-,26-,29?,30?,31?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398918 (CHEMBL2178778) Show SMILES COc1ccc2CN(CCCNCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:27:16:25:22.20.19,21:20:17:25.26.23,24:23:17.16.27:19,THB:26:16:25.23.22:19,26:23:17.16.27:19,27:20:25:17.16.26,22:23:17:27.20.19,22:20:17:25.26.23,21:20:25:17.16.26,24:23:17:27.20.19| Show InChI InChI=1S/C34H51N3O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)36-13-4-11-35-12-5-14-37-15-10-34-9-8-26(38)16-28(34)40-30-27(39-3)7-6-25(20-37)29(30)34/h6-9,24,26,28,35-36,38H,4-5,10-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398916 (CHEMBL2178780) Show SMILES COc1ccc2CN(CCCCC(=O)NC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:26:15:24:21.19.18,20:19:16:24.25.22,23:22:16.15.26:18,THB:25:15:24.22.21:18,25:22:16.15.26:18,26:19:24:16.15.25,21:22:16:26.19.18,21:19:16:24.25.22,20:19:24:16.15.25,23:22:16:26.19.18| Show InChI InChI=1S/C33H46N2O4/c1-30-15-22-16-31(2,19-30)21-32(17-22,20-30)34-27(37)6-4-5-12-35-13-11-33-10-9-24(36)14-26(33)39-29-25(38-3)8-7-23(18-35)28(29)33/h7-10,22,24,26,36H,4-6,11-21H2,1-3H3,(H,34,37)/t22?,24-,26-,30?,31?,32?,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50398930 (CHEMBL2178782) Show SMILES COc1ccc2CN(CCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31,TLB:22:20:24:15.14.16,22:15:24:20.23.19,THB:21:20:24:15.14.16,14:13:19:15.22.16,14:15:13.23.24:19,12:13:19:15.22.16| Show InChI InChI=1S/C32H46N2O3/c1-29-15-22-16-30(2,19-29)21-31(17-22,20-29)33-11-4-5-12-34-13-10-32-9-8-24(35)14-26(32)37-28-25(36-3)7-6-23(18-34)27(28)32/h6-9,22,24,26,33,35H,4-5,10-21H2,1-3H3/t22?,24-,26-,29?,30?,31?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	696	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	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	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method				J Med Chem 55: 9708-21 (2012) Article DOI: 10.1021/jm3009458 BindingDB Entry DOI: 10.7270/Q2VQ33TR
					More data for this Ligand-Target Pair				3D Structure (crystal)

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