Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'cecchetti' and Initial = 'v'   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50253154 (CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...) Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50313107 (4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...) Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)| Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1 Show InChI InChI=1S/C29H42N4O4S/c1-29(2,3)30-19-22(34)20-37-26-12-7-10-24-28(26)38-21-27(35)33(24)14-8-13-31-15-17-32(18-16-31)23-9-5-6-11-25(23)36-4/h5-7,9-12,22,30,34H,8,13-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040072 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H25ClN4O7S2/c21-16-6-4-14(10-19(16)33(22,28)29)34(30,31)24-9-8-23-11-13(26)12-32-18-3-1-2-17-15(18)5-7-20(27)25-17/h1-4,6,10,13,23-24,26H,5,7-9,11-12H2,(H,25,27)(H2,22,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040065 (5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihyd...) Show SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50314780 (CHEMBL1091199 | N-Cyclopropyl-3-(1-(2,4-difluoroph...) Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1 Show InChI InChI=1S/C29H42N4O4S/c1-29(2,3)30-19-22(34)20-37-26-12-7-10-24-28(26)38-21-27(35)33(24)14-8-13-31-15-17-32(18-16-31)23-9-5-6-11-25(23)36-4/h5-7,9-12,22,30,34H,8,13-21H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040076 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C19H23ClN4O7S3/c20-14-5-4-13(8-17(14)33(21,27)28)34(29,30)23-7-6-22-9-12(25)10-31-16-3-1-2-15-19(16)32-11-18(26)24-15/h1-5,8,12,22-23,25H,6-7,9-11H2,(H,24,26)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1 Show InChI InChI=1S/C29H42N4O4S/c1-29(2,3)30-19-22(34)20-37-26-12-7-10-24-28(26)38-21-27(35)33(24)14-8-13-31-15-17-32(18-16-31)23-9-5-6-11-25(23)36-4/h5-7,9-12,22,30,34H,8,13-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040073 (4-Chloro-N-{2-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCNCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C20H23ClN4O6S2/c21-14-5-4-12(8-17(14)33(22,29)30)20(28)24-7-6-23-9-13(26)10-31-16-3-1-2-15-19(16)32-11-18(27)25-15/h1-5,8,13,23,26H,6-7,9-11H2,(H,24,28)(H,25,27)(H2,22,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040069 (2-Chloro-5-{2-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3NC(=O)CSc23)ccc1Cl Show InChI InChI=1S/C19H23ClN4O5S2/c20-14-5-4-12(8-17(14)31(21,27)28)23-7-6-22-9-13(25)10-29-16-3-1-2-15-19(16)30-11-18(26)24-15/h1-5,8,13,22-23,25H,6-7,9-11H2,(H,24,26)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086668 (7-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2ccc3NC(=O)CSc3c2)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-28-20-5-3-2-4-19(20)25-10-8-24(9-11-25)13-16(26)14-29-17-6-7-18-21(12-17)30-15-22(27)23-18/h2-7,12,16,26H,8-11,13-15H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418613 (CHEMBL1232887) Show SMILES Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50265033 (CHEMBL522579 | N-cyclopropyl-2',6-dimethyl-4'-(5-m...) Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50263093 (6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...) Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50218566 (CHEMBL140477) Show SMILES COc1ccccc1N1CCN(CCCOc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C22H27N3O3S/c1-27-19-8-3-2-7-18(19)25-13-11-24(12-14-25)10-5-15-28-20-9-4-6-17-22(20)29-16-21(26)23-17/h2-4,6-9H,5,10-16H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50218562 (CHEMBL141194) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3SCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H27N3O3S/c1-27-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-4-14-28-17-7-8-21-18(15-17)23-22(26)16-29-21/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040074 (2-Chloro-5-{2-[2-hydroxy-3-(naphthalen-1-yloxy)-pr...) Show SMILES NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl Show InChI InChI=1S/C21H24ClN3O4S/c22-19-9-8-16(12-21(19)30(23,27)28)25-11-10-24-13-17(26)14-29-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,17,24-26H,10-11,13-14H2,(H2,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086677 (6-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2ccc3SCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-28-20-5-3-2-4-19(20)25-10-8-24(9-11-25)13-16(26)14-29-17-6-7-21-18(12-17)23-22(27)15-30-21/h2-7,12,16,26H,8-11,13-15H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086665 (7-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...) Show SMILES OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c22-15-1-3-16(4-2-15)25-9-7-24(8-10-25)12-17(26)13-28-18-5-6-19-20(11-18)29-14-21(27)23-19/h1-6,11,17,26H,7-10,12-14H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50086673 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4H-benzo[1...) Show SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C15H22N2O3S/c1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-14(12)21-9-13(19)17-11/h4-6,10,16,18H,7-9H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50086673 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4H-benzo[1...) Show SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12 Show InChI InChI=1S/C15H22N2O3S/c1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-14(12)21-9-13(19)17-11/h4-6,10,16,18H,7-9H2,1-3H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50218565 (CHEMBL143288) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3NC(=O)CSc3c2)CC1 Show InChI InChI=1S/C22H27N3O3S/c1-27-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-4-14-28-17-7-8-18-21(15-17)29-16-22(26)23-18/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50218563 (CHEMBL341723) Show SMILES COc1ccccc1N1CCN(CCOc2ccc3NC(=O)CSc3c2)CC1 Show InChI InChI=1S/C21H25N3O3S/c1-26-19-5-3-2-4-18(19)24-10-8-23(9-11-24)12-13-27-16-6-7-17-20(14-16)28-15-21(25)22-17/h2-7,14H,8-13,15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040070 (8-tert-Butylamino-2-(3-hydroxy-propoxy)-4H-benzo[1...) Show SMILES CC(C)(C)Nc1cccc2NC(=O)C(OCCCO)Sc12 Show InChI InChI=1S/C15H22N2O3S/c1-15(2,3)17-11-7-4-6-10-12(11)21-14(13(19)16-10)20-9-5-8-18/h4,6-7,14,17-18H,5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086670 (8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040071 (2-Chloro-5-{4-[2-hydroxy-3-(naphthalen-1-yloxy)-pr...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)N1CCN(CC(O)COc2cccc3ccccc23)CC1 Show InChI InChI=1S/C23H26ClN3O4S/c24-21-9-8-18(14-23(21)32(25,29)30)27-12-10-26(11-13-27)15-19(28)16-31-22-7-3-5-17-4-1-2-6-20(17)22/h1-9,14,19,28H,10-13,15-16H2,(H2,25,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50218563 (CHEMBL341723) Show SMILES COc1ccccc1N1CCN(CCOc2ccc3NC(=O)CSc3c2)CC1 Show InChI InChI=1S/C21H25N3O3S/c1-26-19-5-3-2-4-18(19)24-10-8-23(9-11-24)12-13-27-16-6-7-17-20(14-16)28-15-21(25)22-17/h2-7,14H,8-13,15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086662 (4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CSc3ccccc23)CC1 Show InChI InChI=1S/C22H27N3O2S/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50773 (1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-naphtha...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 Show InChI InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086679 (8-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...) Show SMILES OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c22-15-4-6-16(7-5-15)25-10-8-24(9-11-25)12-17(26)13-28-19-3-1-2-18-21(19)29-14-20(27)23-18/h1-7,17,26H,8-14H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	71	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 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50218567 (CHEMBL142859) Show SMILES COc1ccccc1N1CCN(CCOc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C21H25N3O3S/c1-26-18-7-3-2-6-17(18)24-11-9-23(10-12-24)13-14-27-19-8-4-5-16-21(19)28-15-20(25)22-16/h2-8H,9-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50086670 (8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50086663 (6-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydrox...) Show SMILES OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O3S/c22-15-1-3-16(4-2-15)25-9-7-24(8-10-25)12-17(26)13-28-18-5-6-20-19(11-18)23-21(27)14-29-20/h1-6,11,17,26H,7-10,12-14H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50218566 (CHEMBL140477) Show SMILES COc1ccccc1N1CCN(CCCOc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C22H27N3O3S/c1-27-19-8-3-2-7-18(19)25-13-11-24(12-14-25)10-5-15-28-20-9-4-6-17-22(20)29-16-21(26)23-17/h2-4,6-9H,5,10-16H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50086660 (6-{3-[4-(4-Fluoro-benzoyl)-piperazin-1-yl]-2-hydro...) Show SMILES OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H24FN3O4S/c23-16-3-1-15(2-4-16)22(29)26-9-7-25(8-10-26)12-17(27)13-30-18-5-6-20-19(11-18)24-21(28)14-31-20/h1-6,11,17,27H,7-10,12-14H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040066 (2-Chloro-5-{4-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-b...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C21H25ClN4O5S2/c22-16-5-4-14(10-19(16)33(23,29)30)26-8-6-25(7-9-26)11-15(27)12-31-18-3-1-2-17-21(18)32-13-20(28)24-17/h1-5,10,15,27H,6-9,11-13H2,(H,24,28)(H2,23,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040068 (4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C21H24ClN3O6S2/c22-19-9-8-17(12-21(19)32(23,27)28)33(29,30)25-11-10-24-13-16(26)14-31-20-7-3-5-15-4-1-2-6-18(15)20/h1-9,12,16,24-26H,10-11,13-14H2,(H2,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50565002 (CHEMBL4778666) Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	222	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 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...) Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Dengue virus)	BDBM50464499 (CHEMBL4288319) Show SMILES Fc1ccc(cc1F)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc12 |t:12| Show InChI InChI=1S/C21H12BrF2NO5S/c22-15-3-1-2-4-19(15)29-13-6-8-18-14(10-13)20(11-31(27,28)25-18)30-21(26)12-5-7-16(23)17(24)9-12/h1-11,25H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of GTP as substrate assessed as free enzyme after 1 hr in presence of ss-RNA P...				Eur J Med Chem 143: 1667-1676 (2018) Article DOI: 10.1016/j.ejmech.2017.10.064 BindingDB Entry DOI: 10.7270/Q26M39GT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50040075 (4-Chloro-N-{2-[2-hydroxy-3-(2-oxo-1,2,3,4-tetrahyd...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H25ClN4O6S/c22-16-6-4-13(10-19(16)33(23,30)31)21(29)25-9-8-24-11-14(27)12-32-18-3-1-2-17-15(18)5-7-20(28)26-17/h1-4,6,10,14,24,27H,5,7-9,11-12H2,(H,25,29)(H,26,28)(H2,23,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.				J Med Chem 36: 157-61 (1993) BindingDB Entry DOI: 10.7270/Q2ZK5FQV
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50086670 (8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1 Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50565002 (CHEMBL4778666) Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112420 BindingDB Entry DOI: 10.7270/Q2G73JGD
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50218562 (CHEMBL141194) Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3SCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H27N3O3S/c1-27-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-4-14-28-17-7-8-21-18(15-17)23-22(26)16-29-21/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex				Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG
					More data for this Ligand-Target Pair

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