Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'funk' and Initial = 'of'   

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
Endothelin-1 receptor (RAT)	BDBM50061096 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(butane-1...) Show SMILES CCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H37FN2O7S/c1-4-6-14-39(34,35)31(11-5-2)13-12-30-17-21(19-7-10-24-25(16-19)38-18-37-24)26(28(32)33)27(30)20-8-9-23(36-3)22(29)15-20/h7-10,15-16,21,26-27H,4-6,11-14,17-18H2,1-3H3,(H,32,33)/t21-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146613 (5-{5-[(Z)-3-Benzo[1,3]dioxol-5-yl-3-carboxy-2-(4-m...) Show SMILES COC(=O)CCCCOc1cc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc(OC)c1OC Show InChI InChI=1S/C33H34O11/c1-38-23-11-8-21(9-12-23)31(35)24(30(33(36)37)22-10-13-25-26(18-22)44-19-43-25)15-20-16-27(39-2)32(41-4)28(17-20)42-14-6-5-7-29(34)40-3/h8-13,16-18H,5-7,14-15,19H2,1-4H3,(H,36,37)/b30-24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146606 ((Z)-2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-4...) Show SMILES CCOc1cc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc(OCC)c1OCC Show InChI InChI=1S/C31H32O9/c1-5-36-26-15-19(16-27(37-6-2)30(26)38-7-3)14-23(29(32)20-8-11-22(35-4)12-9-20)28(31(33)34)21-10-13-24-25(17-21)40-18-39-24/h8-13,15-17H,5-7,14,18H2,1-4H3,(H,33,34)/b28-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112678 ((R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-meth...) Show SMILES COc1ccc(cc1)C1=C([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146619 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCCCC(C)C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H46N2O5/c1-5-7-15-30(16-8-6-2)27(32)19-31-18-23(22-13-14-25-26(17-22)36-20-35-25)28(29(33)34)24(31)12-10-9-11-21(3)4/h13-14,17,21,23-24,28H,5-12,15-16,18-20H2,1-4H3,(H,33,34)/t23-,24+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112748 ((R)-2-Benzo[1,3]dioxol-5-yl-4-butyl-6-isopropoxy-2...) Show SMILES CCCCC1=C([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:4| Show InChI InChI=1S/C24H26O6/c1-4-5-6-17-18-12-16(29-14(2)3)8-10-19(18)30-23(22(17)24(25)26)15-7-9-20-21(11-15)28-13-27-20/h7-12,14,23H,4-6,13H2,1-3H3,(H,25,26)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146610 (CHEMBL368558 | [(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@@H](CC(O)=O)[C@@H]1c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)28(33)19-32-18-25(22-10-13-26-27(16-22)38-20-37-26)24(17-29(34)35)30(32)21-8-11-23(36-3)12-9-21/h8-13,16,24-25,30H,4-7,14-15,17-20H2,1-3H3,(H,34,35)/t24-,25-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056071 ((2R,3R,4S)-4-Benzofuran-5-yl-1-dibutylcarbamoylmet...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2occc2c1 Show InChI InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146622 ((Z)-2-(7-Methoxy-benzo[1,3]dioxol-5-yl)-4-(4-metho...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C(O)=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C29H28O10/c1-33-19-8-6-17(7-9-19)26(30)20(10-16-11-21(34-2)27(37-5)22(12-16)35-3)25(29(31)32)18-13-23(36-4)28-24(14-18)38-15-39-28/h6-9,11-14H,10,15H2,1-5H3,(H,31,32)/b25-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50080622 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(C(C)C)c1ccccc1)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C31H34N2O6/c1-19(2)29(20-7-5-4-6-8-20)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h4-15,19,24,28-30H,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,29?,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50066408 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC\C=C\C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H40N2O5/c1-4-7-10-11-22-26(27(31)32)21(20-12-13-23-24(16-20)34-19-33-23)17-29(22)18-25(30)28(14-8-5-2)15-9-6-3/h4,7,12-13,16,21-22,26H,5-6,8-11,14-15,17-19H2,1-3H3,(H,31,32)/b7-4+/t21-,22+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112661 ((2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C27H26O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,24-26H,14H2,1-3H3,(H,28,29)/t24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146605 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-benzyl)-4...) Show SMILES COc1ccc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C26H22O7/c1-30-19-8-3-16(4-9-19)13-21(25(27)17-5-10-20(31-2)11-6-17)24(26(28)29)18-7-12-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146608 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O7/c1-30-19-9-6-17(7-10-19)25(27)21(13-16-4-3-5-20(12-16)31-2)24(26(28)29)18-8-11-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146627 ((Z)-3-Cyclohexylmethyl-4-(2,3-dihydro-benzo[1,4]di...) Show SMILES COc1cc(cc2OCOc12)C(\C(O)=O)=C(/CC1CCCCC1)C(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H28O8/c1-31-22-13-18(14-23-26(22)35-15-34-23)24(27(29)30)19(11-16-5-3-2-4-6-16)25(28)17-7-8-20-21(12-17)33-10-9-32-20/h7-8,12-14,16H,2-6,9-11,15H2,1H3,(H,29,30)/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112692 (2-Benzo[1,3]dioxol-5-yl-6-ethoxy-4-(4-methoxy-phen...) Show SMILES CCOc1ccc2OC(C(C(O)=O)=C(c3ccc(OC)cc3)c2c1)c1ccc2OCOc2c1 |t:12| Show InChI InChI=1S/C26H22O7/c1-3-30-18-9-11-20-19(13-18)23(15-4-7-17(29-2)8-5-15)24(26(27)28)25(33-20)16-6-10-21-22(12-16)32-14-31-21/h4-13,25H,3,14H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50080630 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(1,2-dipheny...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)NC(Cc1ccccc1)c1ccccc1)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C35H34N2O6/c1-41-27-15-12-25(13-16-27)34-33(35(39)40)28(26-14-17-30-31(19-26)43-22-42-30)20-37(34)21-32(38)36-29(24-10-6-3-7-11-24)18-23-8-4-2-5-9-23/h2-17,19,28-29,33-34H,18,20-22H2,1H3,(H,36,38)(H,39,40)/t28-,29?,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50050996 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146616 ((S)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-methoxy...) Show SMILES COC1=C([C@@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:2| Show InChI InChI=1S/C21H20O7/c1-11(2)27-13-5-7-15-14(9-13)20(24-3)18(21(22)23)19(28-15)12-4-6-16-17(8-12)26-10-25-16/h4-9,11,19H,10H2,1-3H3,(H,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50101258 (CHEMBL295440 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50146614 (2-Methyl-5-(3-oxazol-5-yl-phenylsulfamoyl)-furan-3...) Show SMILES COC(=O)c1cc(oc1C)S(=O)(=O)Nc1cccc(c1)-c1cnco1 Show InChI InChI=1S/C16H14N2O6S/c1-10-13(16(19)22-2)7-15(24-10)25(20,21)18-12-5-3-4-11(6-12)14-8-17-9-23-14/h3-9,18H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of [125]ET-1 binding to human Endothelin A receptor expressed in vero cells				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146609 ((Z)-3-Benzyl-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-4...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C26H22O7/c1-30-19-10-8-17(9-11-19)24(27)20(12-16-6-4-3-5-7-16)23(26(28)29)18-13-21(31-2)25-22(14-18)32-15-33-25/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146623 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(3,4-dimeth...) Show SMILES COc1ccc(cc1OC)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O7/c1-30-20-10-9-18(14-22(20)31-2)25(27)19(12-16-6-4-3-5-7-16)24(26(28)29)17-8-11-21-23(13-17)33-15-32-21/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146620 ((Z)-2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-3...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc2ccccc12)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H22O6/c1-33-22-12-9-19(10-13-22)28(30)24(15-20-7-4-6-18-5-2-3-8-23(18)20)27(29(31)32)21-11-14-25-26(16-21)35-17-34-25/h2-14,16H,15,17H2,1H3,(H,31,32)/b27-24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50056065 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(4-fluoro-ph...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H37FN2O4/c1-4-6-16-30(17-7-5-2)25(32)19-31-18-24(20-8-12-22(29)13-9-20)26(28(33)34)27(31)21-10-14-23(35-3)15-11-21/h8-15,24,26-27H,4-7,16-19H2,1-3H3,(H,33,34)/t24-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112697 ((S)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-meth...) Show SMILES COc1ccc(cc1)C1=C([C@@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50080604 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,3-dimethy...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cccc(C)c1C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-23(18(17)2)30-26(32)15-31-14-22(20-9-12-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50075412 (1-(2,5-Dimethoxy-benzyl)-4-(4-methoxy-phenyl)-2-ox...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2cc(OC)ccc2OC)c2c1oc1ccccc21 Show InChI InChI=1S/C28H23NO7/c1-33-18-10-8-16(9-11-18)23-24(28(31)32)27(30)29(15-17-14-19(34-2)12-13-21(17)35-3)25-20-6-4-5-7-22(20)36-26(23)25/h4-14H,15H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112679 (2-Benzo[1,3]dioxol-5-yl-4-pentyloxy-2H-chromene-3-...) Show SMILES CCCCCOC1=C(C(Oc2ccccc12)c1ccc2OCOc2c1)C(O)=O |t:6| Show InChI InChI=1S/C22H22O6/c1-2-3-6-11-25-21-15-7-4-5-8-16(15)28-20(19(21)22(23)24)14-9-10-17-18(12-14)27-13-26-17/h4-5,7-10,12,20H,2-3,6,11,13H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112726 (6-Isopropoxy-2,4-bis-(4-methoxy-phenyl)-2H-chromen...) Show SMILES COc1ccc(cc1)C1Oc2ccc(OC(C)C)cc2C(=C1C(O)=O)c1ccc(OC)cc1 |c:22| Show InChI InChI=1S/C27H26O6/c1-16(2)32-21-13-14-23-22(15-21)24(17-5-9-19(30-3)10-6-17)25(27(28)29)26(33-23)18-7-11-20(31-4)12-8-18/h5-16,26H,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50050979 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCCNC(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H28N2O6/c1-3-10-25-21(27)13-26-12-18(16-6-9-19-20(11-16)32-14-31-19)22(24(28)29)23(26)15-4-7-17(30-2)8-5-15/h4-9,11,18,22-23H,3,10,12-14H2,1-2H3,(H,25,27)(H,28,29)/t18-,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146617 ((Z)-3-Benzyl-2-(3,5-dimethoxy-phenyl)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C26H24O6/c1-30-20-11-9-18(10-12-20)25(27)23(13-17-7-5-4-6-8-17)24(26(28)29)19-14-21(31-2)16-22(15-19)32-3/h4-12,14-16H,13H2,1-3H3,(H,28,29)/b24-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112703 (2-Benzo[1,3]dioxol-5-yl-6-methoxy-4-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccc(OC)cc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C25H20O7/c1-28-16-6-3-14(4-7-16)22-18-12-17(29-2)8-10-19(18)32-24(23(22)25(26)27)15-5-9-20-21(11-15)31-13-30-20/h3-12,24H,13H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112716 ((2S,3S,4S)-2-Benzo[1,3]dioxol-5-yl-4-butyl-6-isopr...) Show SMILES CCCC[C@H]1[C@@H]([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C24H28O6/c1-4-5-6-17-18-12-16(29-14(2)3)8-10-19(18)30-23(22(17)24(25)26)15-7-9-20-21(11-15)28-13-27-20/h7-12,14,17,22-23H,4-6,13H2,1-3H3,(H,25,26)/t17-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112723 (2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-2H-ch...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccccc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C24H18O6/c1-27-16-9-6-14(7-10-16)21-17-4-2-3-5-18(17)30-23(22(21)24(25)26)15-8-11-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50101263 (CHEMBL49040 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146615 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(4-chloro-benzyl)-4-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(Cl)cc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19ClO6/c1-30-19-9-4-16(5-10-19)24(27)20(12-15-2-7-18(26)8-3-15)23(25(28)29)17-6-11-21-22(13-17)32-14-31-21/h2-11,13H,12,14H2,1H3,(H,28,29)/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112701 (2-Benzo[1,3]dioxol-5-yl-6-isopropyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccc(cc12)C(C)C)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C27H24O6/c1-15(2)17-6-10-21-20(12-17)24(16-4-8-19(30-3)9-5-16)25(27(28)29)26(33-21)18-7-11-22-23(13-18)32-14-31-22/h4-13,15,26H,14H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146625 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-biphenyl-4-ylmethyl-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(cc1)-c1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H24O6/c1-35-25-14-11-23(12-15-25)30(32)26(17-20-7-9-22(10-8-20)21-5-3-2-4-6-21)29(31(33)34)24-13-16-27-28(18-24)37-19-36-27/h2-16,18H,17,19H2,1H3,(H,33,34)/b29-26-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50146607 (2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C22H26N2O6/c1-14(2)19(24-22(29)30-13-16-6-4-3-5-7-16)20(26)23-18(21(27)28)12-15-8-10-17(25)11-9-15/h3-11,14,18-19,25H,12-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of [125]ET-1 binding to human Endothelin A receptor expressed in vero cells				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112711 ((R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-2H-chrome...) Show SMILES CC(C)Oc1ccc2O[C@@H](C(=Cc2c1)C(O)=O)c1ccc2OCOc2c1 |c:10| Show InChI InChI=1S/C20H18O6/c1-11(2)25-14-4-6-16-13(7-14)8-15(20(21)22)19(26-16)12-3-5-17-18(9-12)24-10-23-17/h3-9,11,19H,10H2,1-2H3,(H,21,22)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50146608 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O7/c1-30-19-9-6-17(7-10-19)25(27)21(13-16-4-3-5-20(12-16)31-2)24(26(28)29)18-8-11-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Endothelin B receptor				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146604 ((Z)-3-Benzyl-2-(2,4-dimethoxy-phenyl)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc(OC)cc1OC Show InChI InChI=1S/C26H24O6/c1-30-19-11-9-18(10-12-19)25(27)22(15-17-7-5-4-6-8-17)24(26(28)29)21-14-13-20(31-2)16-23(21)32-3/h4-14,16H,15H2,1-3H3,(H,28,29)/b24-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50112748 ((R)-2-Benzo[1,3]dioxol-5-yl-4-butyl-6-isopropoxy-2...) Show SMILES CCCCC1=C([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:4| Show InChI InChI=1S/C24H26O6/c1-4-5-6-17-18-12-16(29-14(2)3)8-10-19(18)30-23(22(17)24(25)26)15-7-9-20-21(11-15)28-13-27-20/h7-12,14,23H,4-6,13H2,1-3H3,(H,25,26)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Endothelin B receptor				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112691 (2-Benzo[1,3]dioxol-5-yl-4-butyl-6-isopropoxy-2H-ch...) Show SMILES CCCCC1=C(C(Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O |t:4| Show InChI InChI=1S/C24H26O6/c1-4-5-6-17-18-12-16(29-14(2)3)8-10-19(18)30-23(22(17)24(25)26)15-7-9-20-21(11-15)28-13-27-20/h7-12,14,23H,4-6,13H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146621 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(3-methoxy-...) Show SMILES COc1cccc(c1)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H20O6/c1-29-19-9-5-8-18(13-19)24(26)20(12-16-6-3-2-4-7-16)23(25(27)28)17-10-11-21-22(14-17)31-15-30-21/h2-11,13-14H,12,15H2,1H3,(H,27,28)/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146612 ((Z)-3-(4-Methoxy-benzyl)-4-(4-methoxy-phenyl)-4-ox...) Show SMILES COc1ccc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24(26(28)29)23(16-18-6-12-21(30-2)13-7-18)25(27)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H,28,29)/b24-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50146626 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-ethyl-ph...) Show SMILES CCc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O5/c1-2-17-8-10-19(11-9-17)25(27)21(14-18-6-4-3-5-7-18)24(26(28)29)20-12-13-22-23(15-20)31-16-30-22/h3-13,15H,2,14,16H2,1H3,(H,28,29)/b24-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112674 (2-Benzo[1,3]dioxol-5-yl-4-phenyl-2H-chromene-3-car...) Show SMILES OC(=O)C1=C(c2ccccc2)c2ccccc2OC1c1ccc2OCOc2c1 |c:3| Show InChI InChI=1S/C23H16O5/c24-23(25)21-20(14-6-2-1-3-7-14)16-8-4-5-9-17(16)28-22(21)15-10-11-18-19(12-15)27-13-26-18/h1-12,22H,13H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 55 total )  |  Next  |  Last  >>

Jump to: