Compile Data Set for Download or QSAR

Found 364 hits with Last Name = 'shirai' and Initial = 'j'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50419354 (GR205171A | VOFOPITANT DIHYDROCHLORIDE) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456841 (CHEMBL4218307) Show SMILES Cl.CNc1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456848 (CHEMBL4208816) Show SMILES Cl.CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C14H13Cl2N3OS/c1-21-12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456851 (CHEMBL4213029) Show SMILES Cl.COc1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H19F2NO4S.ClH/c1-24-13-3-5-18-14(11-13)16(6-9-26(18,22)23)21-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21H,6-9H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456854 (CHEMBL4205740) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H17ClFNO3S.ClH/c18-14-6-5-12(19)11-16(14)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456843 (CHEMBL4213993) Show SMILES Cl.CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H17ClFNO3S/c1-23(20,21)16-5-3-2-4-12(16)11-19-8-9-22-15-10-13(18)6-7-14(15)17/h2-7,10,19H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456853 (CHEMBL4214499) Show SMILES CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C17H19ClFNO3S/c1-24(21,22)17-5-3-2-4-13(17)8-9-20-10-11-23-16-12-14(19)6-7-15(16)18/h2-7,12,20H,8-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456852 (CHEMBL4217958) Show SMILES Cl.COc1cccc2c1C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H19F2NO4S.ClH/c1-24-15-3-2-4-17-18(15)14(7-10-26(17,22)23)21-8-9-25-16-11-12(19)5-6-13(16)20;/h2-6,11,14,21H,7-10H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456838 (CHEMBL4218841) Show SMILES Cl.Fc1ccc(F)c(OCCNC2CCS(=O)(=O)c3ccc(F)cc23)c1 Show InChI InChI=1S/C17H16F3NO3S.ClH/c18-11-2-4-17-13(9-11)15(5-8-25(17,22)23)21-6-7-24-16-10-12(19)1-3-14(16)20;/h1-4,9-10,15,21H,5-8H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456856 (CHEMBL4217445) Show SMILES Cl.Fc1ccc(F)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H17F2NO3S.ClH/c18-12-5-6-14(19)16(11-12)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456844 (CHEMBL4213747) Show SMILES Cl.CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H16Cl2FNO3S/c1-24(21,22)16-5-2-12(17)8-11(16)10-20-6-7-23-15-9-13(19)3-4-14(15)18/h2-5,8-9,20H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456853 (CHEMBL4214499) Show SMILES CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C17H19ClFNO3S/c1-24(21,22)17-5-3-2-4-13(17)8-9-20-10-11-23-16-12-14(19)6-7-15(16)18/h2-7,12,20H,8-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456850 (CHEMBL4214419) Show SMILES Cl.COc1ccc2C(CCS(=O)(=O)c2c1)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H19F2NO4S.ClH/c1-24-13-3-4-14-16(6-9-26(22,23)18(14)11-13)21-7-8-25-17-10-12(19)2-5-15(17)20;/h2-5,10-11,16,21H,6-9H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456847 (CHEMBL4210954) Show SMILES Cl.CNc1ccc2c(c1)[C@@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456839 (CHEMBL4218360) Show SMILES Cl.Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C15H14Cl2FNO/c16-12-3-1-2-11(8-12)10-19-6-7-20-15-9-13(18)4-5-14(15)17/h1-5,8-9,19H,6-7,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456857 (CHEMBL4210948) Show SMILES Cl.NC(=O)c1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H18F2N2O4S.ClH/c19-12-2-3-14(20)16(10-12)26-7-6-22-15-5-8-27(24,25)17-4-1-11(18(21)23)9-13(15)17;/h1-4,9-10,15,22H,5-8H2,(H2,21,23);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456842 (CHEMBL4210106) Show SMILES Cl.CC(NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C17H19ClFNO3S.ClH/c1-12(14-5-3-4-6-17(14)24(2,21)22)20-9-10-23-16-11-13(19)7-8-15(16)18;/h3-8,11-12,20H,9-10H2,1-2H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456846 (CHEMBL4205209) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C16H15ClFNO3S.ClH/c17-13-6-5-11(18)9-15(13)22-8-7-19-14-10-23(20,21)16-4-2-1-3-12(14)16;/h1-6,9,14,19H,7-8,10H2;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456842 (CHEMBL4210106) Show SMILES Cl.CC(NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C17H19ClFNO3S.ClH/c1-12(14-5-3-4-6-17(14)24(2,21)22)20-9-10-23-16-11-13(19)7-8-15(16)18;/h3-8,11-12,20H,9-10H2,1-2H3;1H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456854 (CHEMBL4205740) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H17ClFNO3S.ClH/c18-14-6-5-12(19)11-16(14)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456839 (CHEMBL4218360) Show SMILES Cl.Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C15H14Cl2FNO/c16-12-3-1-2-11(8-12)10-19-6-7-20-15-9-13(18)4-5-14(15)17/h1-5,8-9,19H,6-7,10H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456846 (CHEMBL4205209) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C16H15ClFNO3S.ClH/c17-13-6-5-11(18)9-15(13)22-8-7-19-14-10-23(20,21)16-4-2-1-3-12(14)16;/h1-6,9,14,19H,7-8,10H2;1H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456843 (CHEMBL4213993) Show SMILES Cl.CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H17ClFNO3S/c1-23(20,21)16-5-3-2-4-12(16)11-19-8-9-22-15-10-13(18)6-7-14(15)17/h2-7,10,19H,8-9,11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456840 (CHEMBL4207824) Show SMILES Cl.CNc1ccc2c(c1)[C@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456853 (CHEMBL4214499) Show SMILES CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C17H19ClFNO3S/c1-24(21,22)17-5-3-2-4-13(17)8-9-20-10-11-23-16-12-14(19)6-7-15(16)18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456855 (CHEMBL4209507) Show SMILES Cl.COc1cccc2C(CCS(=O)(=O)c12)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H19F2NO4S.ClH/c1-24-16-4-2-3-13-15(7-10-26(22,23)18(13)16)21-8-9-25-17-11-12(19)5-6-14(17)20;/h2-6,11,15,21H,7-10H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456848 (CHEMBL4208816) Show SMILES Cl.CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C14H13Cl2N3OS/c1-21-12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456839 (CHEMBL4218360) Show SMILES Cl.Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C15H14Cl2FNO/c16-12-3-1-2-11(8-12)10-19-6-7-20-15-9-13(18)4-5-14(15)17/h1-5,8-9,19H,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456854 (CHEMBL4205740) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H17ClFNO3S.ClH/c18-14-6-5-12(19)11-16(14)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456843 (CHEMBL4213993) Show SMILES Cl.CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H17ClFNO3S/c1-23(20,21)16-5-3-2-4-12(16)11-19-8-9-22-15-10-13(18)6-7-14(15)17/h2-7,10,19H,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456846 (CHEMBL4205209) Show SMILES Cl.Fc1ccc(Cl)c(OCCNC2CS(=O)(=O)c3ccccc23)c1 Show InChI InChI=1S/C16H15ClFNO3S.ClH/c17-13-6-5-11(18)9-15(13)22-8-7-19-14-10-23(20,21)16-4-2-1-3-12(14)16;/h1-6,9,14,19H,7-8,10H2;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456842 (CHEMBL4210106) Show SMILES Cl.CC(NCCOc1cc(F)ccc1Cl)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C17H19ClFNO3S.ClH/c1-12(14-5-3-4-6-17(14)24(2,21)22)20-9-10-23-16-11-13(19)7-8-15(16)18;/h3-8,11-12,20H,9-10H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50456849 (CHEMBL4213907) Show SMILES Cl.CS(=O)(=O)c1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H19F2NO5S2.ClH/c1-27(22,23)13-3-5-18-14(11-13)16(6-9-28(18,24)25)21-7-8-26-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21H,6-9H2,1H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456841 (CHEMBL4218307) Show SMILES Cl.CNc1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456841 (CHEMBL4218307) Show SMILES Cl.CNc1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456848 (CHEMBL4208816) Show SMILES Cl.CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C14H13Cl2N3OS/c1-21-12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456844 (CHEMBL4213747) Show SMILES Cl.CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H16Cl2FNO3S/c1-24(21,22)16-5-2-12(17)8-11(16)10-20-6-7-23-15-9-13(19)3-4-14(15)18/h2-5,8-9,20H,6-7,10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50456847 (CHEMBL4210954) Show SMILES Cl.CNc1ccc2c(c1)[C@@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m1./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456847 (CHEMBL4210954) Show SMILES Cl.CNc1ccc2c(c1)[C@@H](CCS2(=O)=O)NCCOc1cc(F)ccc1F |r| Show InChI InChI=1S/C18H20F2N2O3S.ClH/c1-21-13-3-5-18-14(11-13)16(6-9-26(18,23)24)22-7-8-25-17-10-12(19)2-4-15(17)20;/h2-5,10-11,16,21-22H,6-9H2,1H3;1H/t16-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456844 (CHEMBL4213747) Show SMILES Cl.CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C16H16Cl2FNO3S/c1-24(21,22)16-5-2-12(17)8-11(16)10-20-6-7-23-15-9-13(19)3-4-14(15)18/h2-5,8-9,20H,6-7,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364189 (CHEMBL1951813) Show SMILES C[C@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50364190 (CHEMBL1951810) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r| Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50357169 (CHEMBL1917866) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCCNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N7O3/c1-18(38)31-13-6-9-25(39)36-14-12-23(22(17-36)19-7-4-3-5-8-19)32-16-20-15-21(10-11-24(20)40-2)37-26(27(28,29)30)33-34-35-37/h3-5,7-8,10-11,15,22-23,32H,6,9,12-14,16-17H2,1-2H3,(H,31,38)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair

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