Compile Data Set for Download or QSAR

Found 795 hits with Last Name = 'de benedetti' and Initial = 'pg'   

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 (Rattus norvegicus (Rat))	BDBM50143673 (8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H29Cl2N3O/c22-17-3-4-18(23)19(15-17)25-12-9-24(10-13-25)11-14-26-8-7-21(16-20(26)27)5-1-2-6-21/h3-4,15H,1-2,5-14,16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity towards Serotonin transporter was determined in rat forebrain membrane				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063266 (6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...) Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1 Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to displace [3H]paroxetine bound to Serotonin transporter receptor in rat forebrain				J Med Chem 41: 728-41 (1998) Article DOI: 10.1021/jm970645i BindingDB Entry DOI: 10.7270/Q2QV3N6F
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143697 (8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101664 (5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity of compound was determined against Opioid receptor delta 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027063 (CHEMBL2111838) Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027063 (CHEMBL2111838) Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101651 (5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143666 (8-{2-[4-(2-Chloro-5-fluoro-phenyl)-piperazin-1-yl]...) Show SMILES Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27ClFN3O2/c22-17-4-3-16(23)13-18(17)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101657 (4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...) Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) Show SMILES Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H27ClN4O2/c23-18-4-3-17(16-24)19(13-18)26-10-7-25(8-11-26)9-12-27-20(28)14-22(15-21(27)29)5-1-2-6-22/h3-4,13H,1-2,5-12,14-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101661 (4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...) Show SMILES COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C24H29N5O2/c1-27-24(30)21(18-20(26-27)19-8-4-3-5-9-19)25-12-13-28-14-16-29(17-15-28)22-10-6-7-11-23(22)31-2/h3-11,18,25H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
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 PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50063263 (6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12 Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50063263 (6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12 Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane				J Med Chem 41: 728-41 (1998) Article DOI: 10.1021/jm970645i BindingDB Entry DOI: 10.7270/Q2QV3N6F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity determined against Opioid receptor delta 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131967 (CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7| Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101654 (5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101657 (4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...) Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131967 (CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7| Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131972 (4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131972 (4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...) Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15| Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101666 (5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101654 (5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...) Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101652 (5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]...) Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1 Show InChI InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50143701 (8-{2-[4-(2-Chloro-phenyl)-[1,4]diazepan-1-yl]-ethy...) Show SMILES Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H30ClN3O2/c23-18-6-1-2-7-19(18)25-11-5-10-24(12-14-25)13-15-26-20(27)16-22(17-21(26)28)8-3-4-9-22/h1-2,6-7H,3-5,8-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50449636 (BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane				J Med Chem 41: 728-41 (1998) Article DOI: 10.1021/jm970645i BindingDB Entry DOI: 10.7270/Q2QV3N6F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131968 (CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...) Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143689 (8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]...) Show SMILES Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H30ClN3O2/c1-17-4-5-18(23)14-19(17)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22/h4-5,14H,2-3,6-13,15-16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143702 (8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H33N3O2/c1-27-20-7-3-2-6-19(20)24-15-12-23(13-16-24)14-17-25-11-10-22(18-21(25)26)8-4-5-9-22/h2-3,6-7H,4-5,8-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50076415 (2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1CCO Show InChI InChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)22-19(11-16-26)21(17-7-3-2-4-8-17)18-9-5-6-10-20(18)23-22/h2-10,26H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat cortical membrane				J Med Chem 42: 1556-75 (1999) Article DOI: 10.1021/jm981112s BindingDB Entry DOI: 10.7270/Q2D50NPW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101666 (5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143720 (8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-1-me...) Show SMILES CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H29Cl2N3O2/c1-16(27-20(28)13-22(14-21(27)29)6-2-3-7-22)15-25-8-10-26(11-9-25)19-12-17(23)4-5-18(19)24/h4-5,12,16H,2-3,6-11,13-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					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	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50101651 (5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...) Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027064 (CHEMBL2111836) Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50101655 (5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...) Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Farmaceutico e Tossicologico Curated by ChEMBL					Assay Description Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand				J Med Chem 44: 2403-10 (2001) BindingDB Entry DOI: 10.7270/Q2WS8SHW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131969 (CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7| Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131969 (CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...) Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7| Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding constant towards human Opioid receptor kappa 1 was reported				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50057463 (1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C Show InChI InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description The binding affinity of the compound was determined towards Alpha-1B adrenergic receptor in the COS cell line.				J Med Chem 42: 427-37 (1999) Article DOI: 10.1021/jm9805337 BindingDB Entry DOI: 10.7270/Q2FN15CK
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50073570 (2-(4-Furan-2-yl-piperazin-1-yl)-6,7-dimethoxy-quin...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1 Show InChI InChI=1S/C18H21N5O3/c1-24-14-10-12-13(11-15(14)25-2)20-18(21-17(12)19)23-7-5-22(6-8-23)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description The binding affinity of the compound was determined towards Alpha-1B adrenergic receptor in the COS cell line.				J Med Chem 42: 427-37 (1999) Article DOI: 10.1021/jm9805337 BindingDB Entry DOI: 10.7270/Q2FN15CK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50131973 (CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...) Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19| Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 from human cloned receptor				J Med Chem 46: 3853-64 (2003) Article DOI: 10.1021/jm0307640 BindingDB Entry DOI: 10.7270/Q27M08QQ
					More data for this Ligand-Target Pair

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