Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'igawa' 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
Aromatase (Homo sapiens (Human))	BDBM50332808 ((8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-16,20H,2-3,5-12H2,1H3/t14-,15-,16-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332807 ((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009437 (10-Hydroxymethyl-13-methyl-2,3,6,7,8,9,10,11,12,13...) Show SMILES CC12CCC3C(CCC4=CCCCC34CO)C1CCC2O |t:8| Show InChI InChI=1S/C19H30O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h4,14-17,20-21H,2-3,5-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009430 (16-Bromo-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O |t:8| Show InChI InChI=1S/C19H27BrO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h5,13-16H,3-4,6-11H2,1-2H3/t13?,14?,15?,16-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009436 (Acetic acid 13-methyl-17-oxo-1,2,3,6,7,8,9,11,12,1...) Show SMILES CC(=O)OCC12CCCC=C1CCC1C3CCC(=O)C3(C)CCC21 |c:9| Show InChI InChI=1S/C21H30O3/c1-14(22)24-13-21-11-4-3-5-15(21)6-7-16-17-8-9-19(23)20(17,2)12-10-18(16)21/h5,16-18H,3-4,6-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009435 (10-Difluoromethyl-13-methyl-1,2,3,6,7,8,9,10,11,12...) Show SMILES CC12CCC3C(CCC4=CCCCC34C(F)F)C1CCC2=O |t:8| Show InChI InChI=1S/C19H26F2O/c1-18-11-9-15-13(14(18)7-8-16(18)22)6-5-12-4-2-3-10-19(12,15)17(20)21/h4,13-15,17H,2-3,5-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009431 (16-Bromo-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1C[C@H](Br)C2=O |t:8| Show InChI InChI=1S/C19H27BrO/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h5,13-16H,3-4,6-11H2,1-2H3/t13?,14?,15?,16-,18?,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009434 (10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17...) Show SMILES CC12CCC3C(CCC4=CCCCC34C)C1CCC2O |t:8| Show InChI InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-17,20H,3-4,6-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50009433 (10-(1-Hydroxy-prop-2-ynyl)-13-methyl-1,2,3,6,7,8,9...) Show SMILES CC12CCC3C(CCC4=CCCCC34C(O)C#C)C1CCC2=O |t:8| Show InChI InChI=1S/C21H28O2/c1-3-18(22)21-12-5-4-6-14(21)7-8-15-16-9-10-19(23)20(16,2)13-11-17(15)21/h1,6,15-18,22H,4-5,7-13H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99943 (US8501750, 56) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CCc1ccc(F)cc1)c2=O Show InChI InChI=1S/C31H25FN4O4S/c1-2-23-17-26-28(37)35(16-15-19-9-13-22(32)14-10-19)31(39)36(29(26)41-23)18-20-7-11-21(12-8-20)24-5-3-4-6-25(24)27-33-30(38)40-34-27/h3-14,17H,2,15-16,18H2,1H3,(H,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99950 (US8501750, 83) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O Show InChI InChI=1S/C32H25FN4O6S/c1-3-22-15-25-29(39)36(17-27(38)18-10-12-21(42-2)13-11-18)32(41)37(30(25)44-22)16-20-9-8-19(14-26(20)33)23-6-4-5-7-24(23)28-34-31(40)43-35-28/h4-15H,3,16-17H2,1-2H3,(H,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107366 (US8592431, 167) Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn12 |r,wU:28.30,wD:31.34,(-4.67,2.44,;-3.33,3.21,;-2,2.44,;-.67,3.21,;.67,2.44,;.67,.9,;-.67,.13,;-2,.9,;-3.33,.13,;-3.33,-1.41,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-7.34,-3.72,;-6,-4.49,;-4.67,-3.72,;-3.33,-4.49,;-3.33,-6.03,;-1.87,-6.5,;-1.1,-7.83,;-.96,-5.26,;-1.87,-4.01,;2,3.21,;3.33,2.44,;2,4.75,;3.33,5.52,;3.33,7.06,;4.67,7.83,;6,7.06,;7.34,7.83,;6,5.52,;4.67,4.75,;.67,5.52,;.35,7.03,;-1.18,7.19,;-1.81,5.79,;-.67,4.75,)| Show InChI InChI=1S/C29H29FN6O4/c1-2-5-25-23(27(38)35(28-31-16-32-36(25)28)19-10-12-20(37)13-11-19)14-18-9-8-17(15-24(18)30)21-6-3-4-7-22(21)26-33-29(39)40-34-26/h3-4,6-9,15-16,19-20,37H,2,5,10-14H2,1H3,(H,33,34,39)/t19-,20-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107347 (US8592431, 135) Show SMILES CCCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOCC2)c2nc(C)nn12 Show InChI InChI=1S/C30H31FN6O4/c1-3-4-9-26-24(28(38)36(21-12-14-40-15-13-21)29-32-18(2)34-37(26)29)16-20-11-10-19(17-25(20)31)22-7-5-6-8-23(22)27-33-30(39)41-35-27/h5-8,10-11,17,21H,3-4,9,12-16H2,1-2H3,(H,33,35,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99952 (US8501750, 105) Show SMILES COc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2F)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C33H25FN4O6S/c1-43-22-12-10-18(11-13-22)27(39)17-37-30(40)25-15-28(19-6-7-19)45-31(25)38(33(37)42)16-21-9-8-20(14-26(21)34)23-4-2-3-5-24(23)29-35-32(41)44-36-29/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,35,36,41)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99949 (US8501750, 76) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1C)c2=O Show InChI InChI=1S/C33H28N4O6S/c1-4-23-16-27-30(39)36(18-28(38)24-14-13-22(42-3)15-19(24)2)33(41)37(31(27)44-23)17-20-9-11-21(12-10-20)25-7-5-6-8-26(25)29-34-32(40)43-35-29/h5-16H,4,17-18H2,1-3H3,(H,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99946 (US8501750, 60) Show SMILES Fc1cccc(CCn2c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nc(=O)o[nH]3)c3sc(CC(F)(F)F)cc3c2=O)c1 Show InChI InChI=1S/C31H22F4N4O4S/c32-21-5-3-4-18(14-21)12-13-38-27(40)25-15-22(16-31(33,34)35)44-28(25)39(30(38)42)17-19-8-10-20(11-9-19)23-6-1-2-7-24(23)26-36-29(41)43-37-26/h1-11,14-15H,12-13,16-17H2,(H,36,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107364 (US8592431, 264) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCCO)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,2.44,;-5.33,3.21,;-4,2.44,;-2.67,3.21,;-1.33,2.44,;-1.33,.9,;-2.67,.13,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-5.33,.13,;-4,.9,;-6.67,-2.18,;-8,-1.41,;-9.34,-2.18,;-9.34,-3.72,;-8,-4.49,;-6.67,-3.72,;-5.33,-4.49,;-5.33,-6.03,;-3.87,-6.5,;-3.1,-7.83,;-2.96,-5.26,;-3.87,-4.01,;,3.21,;1.33,2.44,;,4.75,;1.33,5.52,;1.33,7.06,;2.67,7.83,;4,7.06,;4,5.52,;2.67,4.75,;5.33,7.83,;6.67,7.06,;8,7.83,;9.34,7.06,;-1.33,5.52,;-1.65,7.03,;-3.19,7.19,;-3.81,5.79,;-2.67,4.75,)| Show InChI InChI=1S/C31H34N6O5/c1-2-5-27-26(29(39)36(30-32-19-33-37(27)30)22-12-14-23(15-13-22)41-17-16-38)18-20-8-10-21(11-9-20)24-6-3-4-7-25(24)28-34-31(40)42-35-28/h3-4,6-11,19,22-23,38H,2,5,12-18H2,1H3,(H,34,35,40)/t22-,23-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107354 (US8592431, 147) Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(O)CC2)c2ncnn12 |(-6,3.21,;-4.67,2.44,;-3.33,3.21,;-2,2.44,;-.67,3.21,;.67,2.44,;.67,.9,;-.67,.13,;-.67,-1.41,;-2,-2.18,;-3.33,-1.41,;-3.33,.13,;-2,.9,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-7.34,-3.72,;-6,-4.49,;-4.67,-3.72,;-3.33,-4.49,;-3.33,-6.03,;-1.87,-6.5,;-1.1,-7.83,;-.96,-5.26,;-1.87,-4.01,;2,3.21,;3.33,2.44,;2,4.75,;3.33,5.52,;4.67,4.75,;6,5.52,;6,7.06,;7.34,7.83,;4.67,7.83,;3.33,7.06,;.67,5.52,;.35,7.03,;-1.18,7.19,;-1.81,5.79,;-.67,4.75,)| Show InChI InChI=1S/C30H32N6O4/c1-2-3-8-26-25(28(38)35(29-31-18-32-36(26)29)21-13-15-22(37)16-14-21)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)27-33-30(39)40-34-27/h4-7,9-12,18,21-22,37H,2-3,8,13-17H2,1H3,(H,33,34,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99953 (US8501750, 107) Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C33H26N4O6S/c1-42-23-6-4-5-22(15-23)27(38)18-36-30(39)26-16-28(21-13-14-21)44-31(26)37(33(36)41)17-19-9-11-20(12-10-19)24-7-2-3-8-25(24)29-34-32(40)43-35-29/h2-12,15-16,21H,13-14,17-18H2,1H3,(H,34,35,40)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99947 (US8501750, 63) Show SMILES Fc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C32H23FN4O5S/c33-22-13-11-20(12-14-22)26(38)17-36-29(39)25-15-27(21-9-10-21)43-30(25)37(32(36)41)16-18-5-7-19(8-6-18)23-3-1-2-4-24(23)28-34-31(40)42-35-28/h1-8,11-15,21H,9-10,16-17H2,(H,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99961 (US8501750, 131) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C(C)(C)C)c2=O Show InChI InChI=1S/C29H28N4O5S/c1-5-19-14-22-25(35)32(16-23(34)29(2,3)4)28(37)33(26(22)39-19)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)24-30-27(36)38-31-24/h6-14H,5,15-16H2,1-4H3,(H,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99951 (US8501750, 99) Show SMILES COc1ccccc1C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C33H26N4O6S/c1-42-27-9-5-4-8-24(27)26(38)18-36-30(39)25-16-28(21-14-15-21)44-31(25)37(33(36)41)17-19-10-12-20(13-11-19)22-6-2-3-7-23(22)29-34-32(40)43-35-29/h2-13,16,21H,14-15,17-18H2,1H3,(H,34,35,40)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99945 (US8501750, 59) Show SMILES Cc1ccc(CCn2c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nc(=O)o[nH]3)c3sc(CC(F)(F)F)cc3c2=O)cc1 Show InChI InChI=1S/C32H25F3N4O4S/c1-19-6-8-20(9-7-19)14-15-38-28(40)26-16-23(17-32(33,34)35)44-29(26)39(31(38)42)18-21-10-12-22(13-11-21)24-4-2-3-5-25(24)27-36-30(41)43-37-27/h2-13,16H,14-15,17-18H2,1H3,(H,36,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107361 (US8592431, 241 | US8592431, 242) Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)C2)c2ncnn12 Show InChI InChI=1S/C30H32N6O4/c1-3-4-9-26-25(28(37)35(29-31-18-32-36(26)29)22-14-15-39-19(2)16-22)17-20-10-12-21(13-11-20)23-7-5-6-8-24(23)27-33-30(38)40-34-27/h5-8,10-13,18-19,22H,3-4,9,14-17H2,1-2H3,(H,33,34,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107445 (US8592431, 376) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)C(C)(C)O)c2ncnn12 |(-5.33,1.78,;-4,2.55,;-2.67,1.78,;-1.33,2.55,;,1.78,;,.24,;-1.33,-.53,;-2.67,.24,;-4,-.53,;-4,-2.07,;-2.67,-2.84,;-1.33,-2.07,;-5.33,-2.84,;-6.67,-2.07,;-8,-2.84,;-8,-4.38,;-6.67,-5.15,;-5.33,-4.38,;-4,-5.15,;-4,-6.69,;-2.54,-7.17,;-1.77,-8.5,;-1.63,-5.92,;-2.54,-4.68,;1.33,2.55,;2.67,1.78,;1.33,4.09,;2.67,4.86,;4,4.09,;5.33,4.86,;5.33,6.4,;4,7.17,;2.67,6.4,;6.67,7.17,;5.9,8.5,;7.44,8.5,;8,6.4,;,4.86,;-.32,6.36,;-1.85,6.53,;-2.48,5.12,;-1.33,4.09,)| Show InChI InChI=1S/C32H36N6O4/c1-4-7-27-26(29(39)37(30-33-19-34-38(27)30)23-16-14-22(15-17-23)32(2,3)41)18-20-10-12-21(13-11-20)24-8-5-6-9-25(24)28-35-31(40)42-36-28/h5-6,8-13,19,22-23,41H,4,7,14-18H2,1-3H3,(H,35,36,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107435 (US8592431, 354) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(C)(O)CF)c2nc(C)nn12 |r,wU:27.29,wD:30.36,(-7.16,1.78,;-5.82,2.55,;-4.49,1.78,;-3.16,2.55,;-1.82,1.78,;-1.82,.24,;-3.16,-.53,;-3.16,-2.07,;-4.49,-2.84,;-5.82,-2.07,;-5.82,-.53,;-4.49,.24,;-7.16,-2.84,;-8.49,-2.07,;-9.82,-2.84,;-9.82,-4.38,;-8.49,-5.15,;-7.16,-4.38,;-5.82,-5.15,;-5.82,-6.69,;-4.36,-7.17,;-3.59,-8.5,;-3.45,-5.92,;-4.36,-4.68,;-.49,2.55,;.85,1.78,;-.49,4.09,;.85,4.86,;.85,6.4,;2.18,7.17,;3.51,6.4,;3.51,4.86,;2.18,4.09,;4.85,7.17,;6.18,6.4,;7.51,7.17,;6.74,8.5,;8.85,6.4,;8.28,8.5,;9.82,8.5,;-1.82,4.86,;-2.14,6.36,;-3.67,6.53,;-4.44,7.86,;-4.3,5.12,;-3.16,4.09,)| Show InChI InChI=1S/C34H39FN6O5/c1-4-7-29-28(18-22-10-12-23(13-11-22)26-8-5-6-9-27(26)30-37-33(43)46-39-30)31(42)40(32-36-21(2)38-41(29)32)24-14-16-25(17-15-24)45-20-34(3,44)19-35/h5-6,8-13,24-25,44H,4,7,14-20H2,1-3H3,(H,37,39,43)/t24-,25-,34?	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99981 (US8501750, 186) Show SMILES CC(C)(C)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C30H28N4O5S/c1-30(2,3)24(35)16-33-26(36)22-14-23(19-12-13-19)40-27(22)34(29(33)38)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)25-31-28(37)39-32-25/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99980 (US8501750, 181) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(-c1ccc3OC(C)(C)Cc3c1)c2=O Show InChI InChI=1S/C33H27FN4O5S/c1-4-22-15-25-29(39)38(21-11-12-27-20(13-21)16-33(2,3)42-27)32(41)37(30(25)44-22)17-19-10-9-18(14-26(19)34)23-7-5-6-8-24(23)28-35-31(40)43-36-28/h5-15H,4,16-17H2,1-3H3,(H,35,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107340 (US8592431, 117) Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOCC2)c2ncnn12 Show InChI InChI=1S/C28H27FN6O4/c1-2-5-24-22(26(36)34(19-10-12-38-13-11-19)27-30-16-31-35(24)27)14-18-9-8-17(15-23(18)29)20-6-3-4-7-21(20)25-32-28(37)39-33-25/h3-4,6-9,15-16,19H,2,5,10-14H2,1H3,(H,32,33,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107346 (US8592431, 134) Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)(C)C2)c2ncnn12 Show InChI InChI=1S/C31H34N6O4/c1-4-5-10-26-25(28(38)36(29-32-19-33-37(26)29)22-15-16-40-31(2,3)18-22)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)27-34-30(39)41-35-27/h6-9,11-14,19,22H,4-5,10,15-18H2,1-3H3,(H,34,35,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107348 (US8592431, 136) Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)(C)C2)c2nc(C)nn12 Show InChI InChI=1S/C31H33FN6O4/c1-5-8-26-24(28(39)37(29-33-18(2)35-38(26)29)21-13-14-41-31(3,4)17-21)15-20-12-11-19(16-25(20)32)22-9-6-7-10-23(22)27-34-30(40)42-36-27/h6-7,9-12,16,21H,5,8,13-15,17H2,1-4H3,(H,34,36,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99974 (US8501750, 153) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(OC(C)=O)c1ccc(OC)cc1)c2=O Show InChI InChI=1S/C34H29FN4O7S/c1-4-24-16-27-31(41)38(18-29(45-19(2)40)20-11-13-23(44-3)14-12-20)34(43)39(32(27)47-24)17-22-10-9-21(15-28(22)35)25-7-5-6-8-26(25)30-36-33(42)46-37-30/h5-16,29H,4,17-18H2,1-3H3,(H,36,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107350 (US8592431, 138) Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2C[C@H](C)O[C@H](C)C2)c2ncnn12 |r| Show InChI InChI=1S/C31H34N6O4/c1-4-5-10-27-26(29(38)36(30-32-18-33-37(27)30)23-15-19(2)40-20(3)16-23)17-21-11-13-22(14-12-21)24-8-6-7-9-25(24)28-34-31(39)41-35-28/h6-9,11-14,18-20,23H,4-5,10,15-17H2,1-3H3,(H,34,35,39)/t19-,20+,23-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107365 (US8592431, 166) Show SMILES CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@@H]2CC[C@H](O)CC2)c2ncnn12 |r,wU:28.30,31.34,(-4.67,2.44,;-3.33,3.21,;-2,2.44,;-.67,3.21,;.67,2.44,;.67,.9,;-.67,.13,;-2,.9,;-3.33,.13,;-3.33,-1.41,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-7.34,-3.72,;-6,-4.49,;-4.67,-3.72,;-3.33,-4.49,;-3.33,-6.03,;-1.87,-6.5,;-1.1,-7.83,;-.96,-5.26,;-1.87,-4.01,;2,3.21,;3.33,2.44,;2,4.75,;3.33,5.52,;4.67,4.75,;6,5.52,;6,7.06,;7.34,7.83,;4.67,7.83,;3.33,7.06,;.67,5.52,;.35,7.03,;-1.18,7.19,;-1.81,5.79,;-.67,4.75,)| Show InChI InChI=1S/C29H29FN6O4/c1-2-5-25-23(27(38)35(28-31-16-32-36(25)28)19-10-12-20(37)13-11-19)14-18-9-8-17(15-24(18)30)21-6-3-4-7-22(21)26-33-29(39)40-34-26/h3-4,6-9,15-16,19-20,37H,2,5,10-14H2,1H3,(H,33,34,39)/t19-,20+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99992 (US8501750, 215) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=NOC)c1ccccc1)c2=O Show InChI InChI=1S/C32H27N5O5S/c1-3-23-17-26-29(38)36(19-27(34-41-2)22-9-5-4-6-10-22)32(40)37(30(26)43-23)18-20-13-15-21(16-14-20)24-11-7-8-12-25(24)28-33-31(39)42-35-28/h4-17H,3,18-19H2,1-2H3,(H,33,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107361 (US8592431, 241 | US8592431, 242) Show SMILES CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCOC(C)C2)c2ncnn12 Show InChI InChI=1S/C30H32N6O4/c1-3-4-9-26-25(28(37)35(29-31-18-32-36(26)29)22-14-15-39-19(2)16-22)17-20-10-12-21(13-11-20)23-7-5-6-8-24(23)27-33-30(38)40-34-27/h5-8,10-13,18-19,22H,3-4,9,14-17H2,1-2H3,(H,33,34,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107318 (US8592431, 2) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(CC(C)(C)C)c2nc(C)nn12 Show InChI InChI=1S/C29H32N6O3/c1-6-9-24-23(26(36)34(17-29(3,4)5)27-30-18(2)32-35(24)27)16-19-12-14-20(15-13-19)21-10-7-8-11-22(21)25-31-28(37)38-33-25/h7-8,10-15H,6,9,16-17H2,1-5H3,(H,31,33,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107330 (US8592431, 69) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(CC2(C)CC2)c2nc(C)nn12 Show InChI InChI=1S/C29H30N6O3/c1-4-7-24-23(26(36)34(17-29(3)14-15-29)27-30-18(2)32-35(24)27)16-19-10-12-20(13-11-19)21-8-5-6-9-22(21)25-31-28(37)38-33-25/h5-6,8-13H,4,7,14-17H2,1-3H3,(H,31,33,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107434 (US8592431, 352) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(O)C(F)F)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,1.29,;-5.33,2.06,;-4,1.29,;-2.67,2.06,;-1.33,1.29,;-1.33,-.25,;-2.67,-1.02,;-2.67,-2.56,;-4,-3.33,;-5.33,-2.56,;-5.33,-1.02,;-4,-.25,;-6.67,-3.33,;-8,-2.56,;-9.34,-3.33,;-9.34,-4.87,;-8,-5.64,;-6.67,-4.87,;-5.33,-5.64,;-5.33,-7.18,;-3.87,-7.66,;-3.1,-8.99,;-2.96,-6.41,;-3.87,-5.16,;,2.06,;1.33,1.29,;,3.6,;1.33,4.37,;1.33,5.91,;2.67,6.68,;4,5.91,;4,4.37,;2.67,3.6,;5.33,6.68,;6.67,5.91,;8,6.68,;9.34,5.91,;8,8.22,;6.67,8.99,;9.34,8.99,;-1.33,4.37,;-1.65,5.88,;-3.19,6.04,;-3.81,4.63,;-2.67,3.6,)| Show InChI InChI=1S/C32H34F2N6O5/c1-2-5-26-25(16-19-8-10-20(11-9-19)23-6-3-4-7-24(23)29-37-32(43)45-38-29)30(42)39(31-35-18-36-40(26)31)21-12-14-22(15-13-21)44-17-27(41)28(33)34/h3-4,6-11,18,21-22,27-28,41H,2,5,12-17H2,1H3,(H,37,38,43)/t21-,22-,27?	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107431 (US8592431, 339) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(O)(CF)CF)c2ncnn12 |r,wU:27.29,wD:30.36,(-7.16,1.78,;-5.82,2.55,;-4.49,1.78,;-3.16,2.55,;-1.82,1.78,;-1.82,.24,;-3.16,-.53,;-3.16,-2.07,;-4.49,-2.84,;-5.82,-2.07,;-5.82,-.53,;-4.49,.24,;-7.16,-2.84,;-8.49,-2.07,;-9.82,-2.84,;-9.82,-4.38,;-8.49,-5.15,;-7.16,-4.38,;-5.82,-5.15,;-5.82,-6.69,;-4.36,-7.17,;-3.59,-8.5,;-3.45,-5.92,;-4.36,-4.68,;-.49,2.55,;.85,1.78,;-.49,4.09,;.85,4.86,;.85,6.4,;2.18,7.17,;3.51,6.4,;3.51,4.86,;2.18,4.09,;4.85,7.17,;6.18,6.4,;7.51,7.17,;8.85,6.4,;8.28,8.5,;9.82,8.5,;6.74,8.5,;5.2,8.5,;-1.82,4.86,;-2.14,6.36,;-3.67,6.53,;-4.3,5.12,;-3.16,4.09,)| Show InChI InChI=1S/C33H36F2N6O5/c1-2-5-28-27(16-21-8-10-22(11-9-21)25-6-3-4-7-26(25)29-38-32(43)46-39-29)30(42)40(31-36-20-37-41(28)31)23-12-14-24(15-13-23)45-19-33(44,17-34)18-35/h3-4,6-11,20,23-24,44H,2,5,12-19H2,1H3,(H,38,39,43)/t23-,24-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99993 (US8501750, 221) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1cccs1)c2=O Show InChI InChI=1S/C29H22N4O5S2/c1-2-19-14-22-26(35)32(16-23(34)24-8-5-13-39-24)29(37)33(27(22)40-19)15-17-9-11-18(12-10-17)20-6-3-4-7-21(20)25-30-28(36)38-31-25/h3-14H,2,15-16H2,1H3,(H,30,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99988 (US8501750, 209) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccccc1)c2=O Show InChI InChI=1S/C31H24N4O5S/c1-2-22-16-25-28(37)34(18-26(36)21-8-4-3-5-9-21)31(39)35(29(25)41-22)17-19-12-14-20(15-13-19)23-10-6-7-11-24(23)27-32-30(38)40-33-27/h3-16H,2,17-18H2,1H3,(H,32,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99977 (US8501750, 157) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1noc(=O)[nH]1)c(=O)n(CC(=O)c1ccc(OC)c(F)c1)c2=O Show InChI InChI=1S/C32H24F2N4O6S/c1-3-20-14-23-29(40)37(16-26(39)18-10-11-27(43-2)25(34)13-18)32(42)38(30(23)45-20)15-19-9-8-17(12-24(19)33)21-6-4-5-7-22(21)28-35-31(41)44-36-28/h4-14H,3,15-16H2,1-2H3,(H,35,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99984 (US8501750, 197) Show SMILES CCc1cc2c(s1)n(Cc1c(F)cc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O Show InChI InChI=1S/C32H24F2N4O6S/c1-3-20-14-23-29(40)37(16-27(39)17-8-10-19(43-2)11-9-17)32(42)38(30(23)45-20)15-24-25(33)12-18(13-26(24)34)21-6-4-5-7-22(21)28-35-31(41)44-36-28/h4-14H,3,15-16H2,1-2H3,(H,35,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99954 (US8501750, 109) Show SMILES CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1noc([O-])n1)c(=O)n(CC(=O)c1ccccc1OC)c2=O Show InChI InChI=1S/C32H26N4O6S/c1-3-21-16-25-29(38)35(18-26(37)24-10-6-7-11-27(24)41-2)32(40)36(30(25)43-21)17-19-12-14-20(15-13-19)22-8-4-5-9-23(22)28-33-31(39)42-34-28/h4-16H,3,17-18H2,1-2H3,(H,33,34,39)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107368 (US8592431, 169) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)c2nc(C)no2)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.62,1.44,;-5.29,2.21,;-3.96,1.44,;-2.62,2.21,;-1.29,1.44,;-1.29,-.1,;-2.62,-.87,;-2.62,-2.41,;-3.96,-3.18,;-5.29,-2.41,;-5.29,-.87,;-3.96,-.1,;-6.62,-3.18,;-7.96,-2.41,;-9.29,-3.18,;-9.29,-4.72,;-7.96,-5.49,;-6.62,-4.72,;-5.29,-5.49,;-5.29,-7.03,;-3.82,-7.51,;-3.05,-8.84,;-2.92,-6.26,;-3.82,-5.02,;.05,2.21,;1.38,1.44,;.05,3.75,;1.38,4.52,;1.38,6.06,;2.71,6.83,;4.05,6.06,;4.05,4.52,;2.71,3.75,;5.38,6.83,;6.84,6.35,;7.75,7.6,;9.29,7.6,;6.84,8.84,;5.38,8.37,;-1.29,4.52,;-1.61,6.02,;-3.14,6.18,;-3.77,4.78,;-2.62,3.75,)| Show InChI InChI=1S/C32H32N8O4/c1-3-6-27-26(17-20-9-11-21(12-10-20)24-7-4-5-8-25(24)28-36-32(42)44-38-28)30(41)39(31-33-18-34-40(27)31)23-15-13-22(14-16-23)29-35-19(2)37-43-29/h4-5,7-12,18,22-23H,3,6,13-17H2,1-2H3,(H,36,38,42)/t22-,23-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107367 (US8592431, 168) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)C(=O)OCC)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,1.67,;-5.33,2.44,;-4,1.67,;-2.67,2.44,;-1.33,1.67,;-1.33,.13,;-2.67,-.64,;-2.67,-2.18,;-4,-2.95,;-5.33,-2.18,;-5.33,-.64,;-4,.13,;-6.67,-2.95,;-8,-2.18,;-9.34,-2.95,;-9.34,-4.49,;-8,-5.26,;-6.67,-4.49,;-5.33,-5.26,;-5.33,-6.8,;-3.87,-7.27,;-3.1,-8.6,;-2.96,-6.03,;-3.87,-4.78,;,2.44,;1.33,1.67,;,3.98,;1.33,4.75,;1.33,6.29,;2.67,7.06,;4,6.29,;4,4.75,;2.67,3.98,;5.33,7.06,;5.33,8.6,;6.67,6.29,;8,7.06,;9.34,6.29,;-1.33,4.75,;-1.65,6.26,;-3.19,6.42,;-3.81,5.02,;-2.67,3.98,)| Show InChI InChI=1S/C32H34N6O5/c1-3-7-27-26(18-20-10-12-21(13-11-20)24-8-5-6-9-25(24)28-35-32(41)43-36-28)29(39)37(31-33-19-34-38(27)31)23-16-14-22(15-17-23)30(40)42-4-2/h5-6,8-13,19,22-23H,3-4,7,14-18H2,1-2H3,(H,35,36,41)/t22-,23-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99967 (US8501750, 143) Show SMILES CC(C)(C)C(O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1 Show InChI InChI=1S/C30H30N4O5S/c1-30(2,3)24(35)16-33-26(36)22-14-23(19-12-13-19)40-27(22)34(29(33)38)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)25-31-28(37)39-32-25/h4-11,14,19,24,35H,12-13,15-16H2,1-3H3,(H,31,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM99958 (US8501750, 127) Show SMILES COc1ccccc1C(=O)Cn1c(=O)n(Cc2c(F)cc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(CC(F)(F)F)cc2c1=O Show InChI InChI=1S/C32H21F5N4O6S/c1-46-26-9-5-4-8-20(26)25(42)15-40-28(43)21-12-17(13-32(35,36)37)48-29(21)41(31(40)45)14-22-23(33)10-16(11-24(22)34)18-6-2-3-7-19(18)27-38-30(44)47-39-27/h2-12H,13-15H2,1H3,(H,38,39,44)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using human AT1.				US Patent US8501750 (2013) BindingDB Entry DOI: 10.7270/Q2F76B5Q
					More data for this Ligand-Target Pair
Acetyl-coenzyme A transporter 1 (Homo sapiens (Human))	BDBM107356 (US8592431, 150) Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@]3(CCCO3)CC2)c2ncnn12 |r,wU:27.29,30.37,(-5.19,1.82,;-3.85,2.59,;-2.52,1.82,;-1.18,2.59,;.15,1.82,;.15,.28,;-1.18,-.49,;-1.18,-2.03,;-2.52,-2.8,;-3.85,-2.03,;-3.85,-.49,;-2.52,.28,;-5.19,-2.8,;-6.52,-2.03,;-7.85,-2.8,;-7.85,-4.34,;-6.52,-5.11,;-5.19,-4.34,;-3.85,-5.11,;-3.85,-6.65,;-2.39,-7.12,;-1.62,-8.46,;-1.48,-5.88,;-2.39,-4.63,;1.48,2.59,;2.82,1.82,;1.48,4.13,;2.82,4.9,;2.82,6.44,;4.15,7.21,;5.48,6.44,;6.95,5.97,;7.85,7.21,;6.95,8.46,;5.48,7.98,;5.48,4.9,;4.15,4.13,;.15,4.9,;-.17,6.41,;-1.7,6.57,;-2.33,5.16,;-1.18,4.13,)| Show InChI InChI=1S/C32H34N6O4/c1-2-6-27-26(19-21-9-11-22(12-10-21)24-7-3-4-8-25(24)28-35-31(40)42-36-28)29(39)37(30-33-20-34-38(27)30)23-13-16-32(17-14-23)15-5-18-41-32/h3-4,7-12,20,23H,2,5-6,13-19H2,1H3,(H,35,36,40)/t23-,32+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 μg) in the presence of AT1 membrane an...				US Patent US8592431 (2013) BindingDB Entry DOI: 10.7270/Q2H70DGX
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 391 total )  |  Next  |  Last  >>

Jump to: