Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'nagabukuro' and Initial = 'h'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.180	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 [125I] HEAT from human alpha1D adrenergic receptor expressed in Chlorocebus aethiops COS1 cell membranes incubated for 60 mins by liq...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164686 (CHEMBL3798124) Show SMILES CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C14H13Cl2N3O/c1-8(9-3-2-4-10(15)5-9)19-7-11(16)6-12(13(19)17)14(18)20/h2-8,17H,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.660	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164745 (CHEMBL3800606) Show SMILES NC(=O)c1cc(Cl)cn(Cc2cc(Cl)cc(c2)C#N)c1=N Show InChI InChI=1S/C14H10Cl2N4O/c15-10-2-8(5-17)1-9(3-10)6-20-7-11(16)4-12(13(20)18)14(19)21/h1-4,7,18H,6H2,(H2,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164769 (CHEMBL3799553) Show SMILES CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C14H13Cl2N3O3S/c1-23(21,22)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	Purchase CHEMBL PC cid PC sid UniChem Similars	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164687 (CHEMBL3799292) Show SMILES C[C@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N |r| Show InChI InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164739 (CHEMBL3800305) Show SMILES NC(=O)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=N Show InChI InChI=1S/C13H11Cl2N3O/c14-9-3-1-2-8(4-9)6-18-7-10(15)5-11(12(18)16)13(17)19/h1-5,7,16H,6H2,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164688 (CHEMBL3800470) Show SMILES CC(c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.40	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164678 (CHEMBL3799912) Show SMILES NC(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H12Cl2N4O2/c15-9-2-7(1-8(3-9)13(18)21)5-20-6-10(16)4-11(12(20)17)14(19)22/h1-4,6,17H,5H2,(H2,18,21)(H2,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164765 (CHEMBL3800506) Show SMILES CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H13Cl2N3O3S/c1-23(21,22)11-3-8(2-9(15)4-11)6-19-7-10(16)5-12(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164741 (CHEMBL3799420) Show SMILES Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H14ClN3O/c1-9-3-2-4-10(5-9)7-18-8-11(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164743 (CHEMBL3799166) Show SMILES NC(=O)c1cc(Cl)cn(Cc2cc(Cl)ccc2C#N)c1=N Show InChI InChI=1S/C14H10Cl2N4O/c15-10-2-1-8(5-17)9(3-10)6-20-7-11(16)4-12(13(20)18)14(19)21/h1-4,7,18H,6H2,(H2,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164740 (CHEMBL3799089) Show SMILES COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H14ClN3O2/c1-20-11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164684 (CHEMBL3799869) Show SMILES CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl Show InChI InChI=1S/C14H13Cl2N3O3S/c1-23(21,22)12-3-2-8(4-11(12)16)6-19-7-9(15)5-10(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164732 (CHEMBL3798655) Show SMILES NC(=O)c1cc(Cl)cn(Cc2cccc(c2)C#N)c1=N Show InChI InChI=1S/C14H11ClN4O/c15-11-5-12(14(18)20)13(17)19(8-11)7-10-3-1-2-9(4-10)6-16/h1-5,8,17H,7H2,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164768 (CHEMBL3799115) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccc(C#N)c(Cl)c2)c1=N Show InChI InChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-8-1-2-9(5-17)12(16)3-8/h1-4,7,18H,6H2,(H2,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164685 (CHEMBL3800449) Show SMILES CC(c1cccc(c1)S(C)(=O)=O)n1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C15H16ClN3O3S/c1-9(10-4-3-5-12(6-10)23(2,21)22)19-8-11(16)7-13(14(19)17)15(18)20/h3-9,17H,1-2H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164742 (CHEMBL3800219) Show SMILES NC(=O)c1cc(Cl)cn(CCc2ccccc2)c1=N Show InChI InChI=1S/C14H14ClN3O/c15-11-8-12(14(17)19)13(16)18(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164738 (CHEMBL3797369) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C13H11Cl2N3O/c14-9-3-1-8(2-4-9)6-18-7-10(15)5-11(12(18)16)13(17)19/h1-5,7,16H,6H2,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164682 (CHEMBL3799486) Show SMILES NC(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H13ClN4O2/c15-10-5-11(14(18)21)12(16)19(7-10)6-8-2-1-3-9(4-8)13(17)20/h1-5,7,16H,6H2,(H2,17,20)(H2,18,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164761 (CHEMBL3799219) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2Cl)c1=N Show InChI InChI=1S/C13H11Cl2N3O/c14-9-5-10(13(17)19)12(16)18(7-9)6-8-3-1-2-4-11(8)15/h1-5,7,16H,6H2,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164731 (CHEMBL3799783) Show SMILES CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 Show InChI InChI=1S/C14H14ClN3O3S/c1-22(20,21)11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164764 (CHEMBL3799155) Show SMILES NC(=O)c1cc(Cl)cn(CCCc2ccccc2)c1=N Show InChI InChI=1S/C15H16ClN3O/c16-12-9-13(15(18)20)14(17)19(10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164679 (CHEMBL3798527) Show SMILES NC(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl Show InChI InChI=1S/C14H12Cl2N4O2/c15-8-4-10(14(19)22)12(17)20(6-8)5-7-1-2-9(13(18)21)11(16)3-7/h1-4,6,17H,5H2,(H2,18,21)(H2,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164683 (CHEMBL3797887) Show SMILES C[C@@H](c1cccc(c1)C#N)n1cc(Cl)cc(C(N)=O)c1=N |r| Show InChI InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164737 (CHEMBL3797500) Show SMILES NC(=O)c1cc(Br)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12BrN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164733 (CHEMBL3798506) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccco2)c1=N Show InChI InChI=1S/C11H10ClN3O2/c12-7-4-9(11(14)16)10(13)15(5-7)6-8-2-1-3-17-8/h1-5,13H,6H2,(H2,14,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164744 (CHEMBL3799335) Show SMILES NC(=O)c1cc(Cl)cn(Cc2cccnc2)c1=N Show InChI InChI=1S/C12H11ClN4O/c13-9-4-10(12(15)18)11(14)17(7-9)6-8-2-1-3-16-5-8/h1-5,7,14H,6H2,(H2,15,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164767 (CHEMBL3800485) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccn2)c1=N Show InChI InChI=1S/C12H11ClN4O/c13-8-5-10(12(15)18)11(14)17(6-8)7-9-3-1-2-4-16-9/h1-6,14H,7H2,(H2,15,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164690 (CHEMBL3797685) Show SMILES CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N Show InChI InChI=1S/C11H16ClN3O/c1-11(2,3)6-15-5-7(12)4-8(9(15)13)10(14)16/h4-5,13H,6H2,1-3H3,(H2,14,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	820	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164736 (CHEMBL3799440) Show SMILES NC(=O)c1cccn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H13N3O/c14-12-11(13(15)17)7-4-8-16(12)9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H2,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164735 (CHEMBL3797886) Show SMILES CN(C)C(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C15H16ClN3O/c1-18(2)15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>940	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164680 (CHEMBL3797382) Show SMILES CCNC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>940	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164689 (CHEMBL3797464) Show SMILES NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=N Show InChI InChI=1S/C12H10ClN3O/c13-8-6-10(12(15)17)11(14)16(7-8)9-4-2-1-3-5-9/h1-7,14H,(H2,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>940	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164734 (CHEMBL3798057) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O Show InChI InChI=1S/C13H11ClN2O2/c14-10-6-11(12(15)17)13(18)16(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>940	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.70E+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 adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146155 (CHEMBL3764774) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3/c33-26(17-32-18-29-24-9-5-4-8-23(24)28(32)35)31-21-12-10-19(11-13-21)16-22-14-15-25(30-22)27(34)20-6-2-1-3-7-20/h1-13,18,22,25,27,30,34H,14-17H2,(H,31,33)/t22-,25+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50092645 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG channel				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50448787 (CHEMBL3128178) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50092645 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting method				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146157 (CHEMBL3764950) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C24H26N4O3/c29-22(15-28-16-25-13-12-23(28)30)27-19-8-6-17(7-9-19)14-20-10-11-21(26-20)24(31)18-4-2-1-3-5-18/h1-9,12-13,16,20-21,24,26,31H,10-11,14-15H2,(H,27,29)/t20-,21+,24+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146161 (CHEMBL3763998) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O3/c1-16(29-22(30)5-3-13-26-29)24(32)28-19-8-6-17(7-9-19)14-20-10-11-21(27-20)23(31)18-4-2-12-25-15-18/h2-9,12-13,15-16,20-21,23,27,31H,10-11,14H2,1H3,(H,28,32)/t16-,20-,21+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50448789 (CHEMBL3128188) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50092645 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting method				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of 5-HT 1A receptor (unknown origin)				J Med Chem 59: 2989-3002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01528 BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50146159 (CHEMBL3764592) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ccccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C25H27N3O3/c29-23(17-28-15-5-4-8-24(28)30)27-20-11-9-18(10-12-20)16-21-13-14-22(26-21)25(31)19-6-2-1-3-7-19/h1-12,15,21-22,25-26,31H,13-14,16-17H2,(H,27,29)/t21-,22+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50338821 (2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...) Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50092645 ((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from human Cav1.2 channel				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50146155 (CHEMBL3764774) Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3/c33-26(17-32-18-29-24-9-5-4-8-23(24)28(32)35)31-21-12-10-19(11-13-21)16-22-14-15-25(30-22)27(34)20-6-2-1-3-7-20/h1-13,18,22,25,27,30,34H,14-17H2,(H,31,33)/t22-,25+,27+/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG channel				J Med Chem 59: 609-23 (2016) Article DOI: 10.1021/acs.jmedchem.5b01372 BindingDB Entry DOI: 10.7270/Q2M047B3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 259 total )  |  Next  |  Last  >>

Jump to: