Compile Data Set for Download or QSAR

Found 2305 hits with Last Name = 'fujita' 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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370388 (US10233189, Example 81 | US10787457, Example 81 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2B85BDW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370388 (US10233189, Example 81 | US10787457, Example 81 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154M86
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM499158 (US11014930, Example 81) Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US11014930 (2021) BindingDB Entry DOI: 10.7270/Q26D5X4G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370388 (US10233189, Example 81 | US10787457, Example 81 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-13-11-15(28-27-13)26-20(30)16-14(5-8-22(31)6-3-4-7-22)29(21(2)9-10-21)19-17(16)18(23)24-12-25-19/h11-12,31H,3-4,6-7,9-10H2,1-2H3,(H2,23,24,25)(H2,26,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US10787457 (2020) BindingDB Entry DOI: 10.7270/Q2BR8W77
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370382 (US10233189, Example 79 | US10787457, Example 79 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2B85BDW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370382 (US10233189, Example 79 | US10787457, Example 79 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154M86
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM499156 (US11014930, Example 79) Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1 Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US11014930 (2021) BindingDB Entry DOI: 10.7270/Q26D5X4G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370382 (US10233189, Example 79 | US10787457, Example 79 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C20H23N7O2/c1-11-9-13(26-25-11)24-18(28)14-12(5-6-19(2,3)29)27(20(4)7-8-20)17-15(14)16(21)22-10-23-17/h9-10,29H,7-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US10787457 (2020) BindingDB Entry DOI: 10.7270/Q2BR8W77
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370385 (US10233189, Example 80 | US10787457, Example 80 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2B85BDW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370385 (US10233189, Example 80 | US10787457, Example 80 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				Citation and Details BindingDB Entry DOI: 10.7270/Q2154M86
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM499157 (US11014930, Example 80) Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)n[nH]1 Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US11014930 (2021) BindingDB Entry DOI: 10.7270/Q26D5X4G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM370385 (US10233189, Example 80 | US10787457, Example 80 | ...) Show SMILES Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1 Show InChI InChI=1S/C22H20N8O/c1-13-10-16(29-28-13)27-21(31)17-15(6-5-14-4-3-9-24-11-14)30(22(2)7-8-22)20-18(17)19(23)25-12-26-20/h3-4,9-12H,7-8H2,1-2H3,(H2,23,25,26)(H2,27,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. ...				US Patent US10787457 (2020) BindingDB Entry DOI: 10.7270/Q2BR8W77
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM311679 (Ex. Cpd. 131 | US10807986, Example 131 | US1104669...) Show SMILES COCc1ccc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)cc1 Show InChI InChI=1S/C26H29N5O3/c1-25(13-14-25)31-19(9-12-26(33)10-3-4-11-26)20(21-22(27)28-16-29-23(21)31)24(32)30-18-7-5-17(6-8-18)15-34-2/h5-8,16,33H,3-4,10-11,13-15H2,1-2H3,(H,30,32)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...				US Patent US10155768 (2018) BindingDB Entry DOI: 10.7270/Q2X350J3
					More data for this Ligand-Target Pair

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