Compile Data Set for Download or QSAR

Found 916 hits with Last Name = 'naldi' and Initial = 'm'   

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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50282204 (CHEMBL4161165) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM21280 (5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 644-50 (1998) BindingDB Entry DOI: 10.7270/Q2D50KHT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002630 (CHEMBL377174) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:21| Show InChI InChI=1S/C25H30N2O3/c1-19-6-8-20(9-7-19)22-12-15-27(25(22)28)21-10-11-23(29-2)24(18-21)30-17-16-26-13-4-3-5-14-26/h6-12,18H,3-5,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM86731 (CAS_74191-85-8 | Doxazosin | UK 33,274) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50282204 (CHEMBL4161165) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50282202 (CHEMBL4163587) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25| Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50171290 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Synthelabo Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 905-14 (2004) Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21280 (5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 644-50 (1998) BindingDB Entry DOI: 10.7270/Q2D50KHT
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM86731 (CAS_74191-85-8 | Doxazosin | UK 33,274) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Compound was measured for the apparent inhibition constant at pepsin				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50282204 (CHEMBL4161165) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM86731 (CAS_74191-85-8 | Doxazosin | UK 33,274) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002642 (CHEMBL213987) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21| Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-6-18(16-23(22)31-14-13-27-10-3-2-4-11-27)28-12-9-19(24(28)29)17-5-7-20(25)21(26)15-17/h5-9,15-16H,2-4,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002616 (CHEMBL213839) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(F)c1 |c:21| Show InChI InChI=1S/C24H27FN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515472 (CHEMBL4469822) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515454 (CHEMBL4550977) Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002678 (CHEMBL210053) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:21| Show InChI InChI=1S/C24H27BrN2O3/c1-29-22-10-9-20(17-23(22)30-16-15-26-12-3-2-4-13-26)27-14-11-21(24(27)28)18-5-7-19(25)8-6-18/h5-11,17H,2-4,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515453 (CHEMBL4588525) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002663 (CHEMBL386332) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(C)cc1 |c:22| Show InChI InChI=1S/C26H32N2O3/c1-19-4-6-21(7-5-19)23-12-15-28(26(23)29)22-8-9-24(30-3)25(18-22)31-17-16-27-13-10-20(2)11-14-27/h4-9,12,18,20H,10-11,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515473 (CHEMBL4572757) Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515470 (CHEMBL4555120) Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515453 (CHEMBL4588525) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515465 (CHEMBL4536715) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50282202 (CHEMBL4163587) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25| Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins				Eur J Med Chem 136: 259-269 (2017) Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002664 (CHEMBL212270) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21| Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515459 (CHEMBL4545701) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50516288 (CHEMBL4530405) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...				Eur J Med Chem 178: 243-258 (2019) Article DOI: 10.1016/j.ejmech.2019.05.080 BindingDB Entry DOI: 10.7270/Q2VX0KVX
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515460 (CHEMBL4475228) Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515468 (CHEMBL4483710) Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515461 (CHEMBL4535585) Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002689 (CHEMBL209573) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C25H28Cl2N2O3/c1-17-7-10-28(11-8-17)13-14-32-24-16-19(4-6-23(24)31-2)29-12-9-20(25(29)30)18-3-5-21(26)22(27)15-18/h3-6,9,15-17H,7-8,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002668 (CHEMBL215864) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(F)cc1 |c:22| Show InChI InChI=1S/C25H29FN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50171290 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Synthelabo Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 905-14 (2004) Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50514053 (CHEMBL4441666) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C38H45N5O2/c1-4-45-29-17-14-27(15-18-29)24-36-42-34-25-28(16-19-35(34)43(36)23-20-26(2)3)38(44)40-22-9-21-39-37-30-10-5-7-12-32(30)41-33-13-8-6-11-31(33)37/h5,7,10,12,14-19,25-26H,4,6,8-9,11,13,20-24H2,1-3H3,(H,39,41)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE assessed as inhibition constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate preincu...				J Med Chem 62: 9078-9102 (2019) Article DOI: 10.1021/acs.jmedchem.9b00623 BindingDB Entry DOI: 10.7270/Q20G3PHK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002625 (CHEMBL209432) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Br)cc1 |c:22| Show InChI InChI=1S/C25H29BrN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002685 (CHEMBL211850) Show SMILES COc1ccc(cc1OCCN1CCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C23H24Cl2N2O3/c1-29-21-7-5-17(15-22(21)30-13-12-26-9-2-3-10-26)27-11-8-18(23(27)28)16-4-6-19(24)20(25)14-16/h4-8,14-15H,2-3,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002632 (CHEMBL376962) Show SMILES COc1ccc(cc1OCCN1CCC(C)(C)CC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:23| Show InChI InChI=1S/C26H30Cl2N2O3/c1-26(2)9-12-29(13-10-26)14-15-33-24-17-19(5-7-23(24)32-3)30-11-8-20(25(30)31)18-4-6-21(27)22(28)16-18/h4-8,16-17H,9-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515471 (CHEMBL4531167) Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C26H32N2O2/c29-21-14-12-20(13-15-21)16-19-30-18-7-1-6-17-27-26-22-8-2-4-10-24(22)28-25-11-5-3-9-23(25)26/h2,4,8,10,12-15,29H,1,3,5-7,9,11,16-19H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515459 (CHEMBL4545701) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002676 (CHEMBL212886) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:22| Show InChI InChI=1S/C25H29ClN2O3/c1-18-8-11-27(12-9-18)14-15-31-24-17-21(6-7-23(24)30-2)28-13-10-22(25(28)29)19-4-3-5-20(26)16-19/h3-7,10,16-18H,8-9,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002687 (CHEMBL214398) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H30Cl2N2O3/c1-25(18-6-8-20(26)21(27)16-18)10-13-29(24(25)30)19-7-9-22(31-2)23(17-19)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002646 (CHEMBL210007) Show SMILES COc1ccc(cc1OCCN1CCCCC1)C1=CCN(C1=O)c1ccc(Cl)c(Cl)c1 |t:19| Show InChI InChI=1S/C24H26Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-9,15-16H,2-4,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002680 (CHEMBL387022) Show SMILES COc1ccc(cc1Cl)N1CC=C(C1=O)c1ccc(OC)c(OCCN2CCCCC2)c1 |c:12| Show InChI InChI=1S/C25H29ClN2O4/c1-30-22-9-7-19(17-21(22)26)28-13-10-20(25(28)29)18-6-8-23(31-2)24(16-18)32-15-14-27-11-4-3-5-12-27/h6-10,16-17H,3-5,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002647 (CHEMBL212064) Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(c1)C(F)(F)F |c:21| Show InChI InChI=1S/C25H27F3N2O3/c1-32-22-9-8-20(17-23(22)33-15-14-29-11-3-2-4-12-29)30-13-10-21(24(30)31)18-6-5-7-19(16-18)25(26,27)28/h5-10,16-17H,2-4,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002669 (CHEMBL212769) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CCC(C)(C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H32Cl2N2O3/c1-18-8-11-29(12-9-18)14-15-33-24-17-20(5-7-23(24)32-3)30-13-10-26(2,25(30)31)19-4-6-21(27)22(28)16-19/h4-7,16-18H,8-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81780 (CAS_6438382 | NSC_6438382 | SR 46349B) Show SMILES CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7| Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 262: 759-68 (1992) BindingDB Entry DOI: 10.7270/Q27S7M7Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50515469 (CHEMBL4521755) Show SMILES Oc1cc(\C=N\c2c3CCCCc3nc3ccccc23)cc(O)c1O Show InChI InChI=1S/C20H18N2O3/c23-17-9-12(10-18(24)20(17)25)11-21-19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1,3,5,7,9-11,23-25H,2,4,6,8H2/b21-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50002670 (CHEMBL386431) Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1CC=C(C1=O)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C25H29ClN2O3/c1-18-9-12-27(13-10-18)15-16-31-24-17-21(7-8-23(24)30-2)28-14-11-22(25(28)29)19-3-5-20(26)6-4-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 16: 3906-12 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.05.034 BindingDB Entry DOI: 10.7270/Q2FN17PF
					More data for this Ligand-Target Pair

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