Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50011012   

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 (Homo sapiens (Human))	BDBM50101257 ((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Tested for in vitro inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50101257 ((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin B receptor at a concentration of 1 uM				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101268 (CHEMBL50232 | [(1R,3R)-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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101271 (CHEMBL47868 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101259 (CHEMBL298212 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H25NO10/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(30)31)29(27(32)28(33)34)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,30,31)(H,33,34)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101262 (3-[2-((1R,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101275 (4-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H31NO9/c1-3-37-20-8-9-21-23(14-20)30(22-10-7-19(36-2)15-25(22)38-12-4-5-27(32)33)31(16-28(34)35)29(21)18-6-11-24-26(13-18)40-17-39-24/h6-11,13-15,29-30H,3-5,12,16-17H2,1-2H3,(H,32,33)(H,34,35)/t29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101261 (CHEMBL295140 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101249 (CHEMBL301371 | {2-[(1S,3R)-3-Benzo[1,3]dioxol-5-yl...) Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1nnn[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H25N5O7/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(33)34)32(27-28-30-31-29-27)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,33,34)(H,28,29,30,31)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101274 (CHEMBL430572 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101254 (CHEMBL301723 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101250 (3-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101247 (CHEMBL49850 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101251 (CHEMBL300000 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101260 (CHEMBL48652 | [(1R,3S)-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+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101264 (CHEMBL298664 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101253 (CHEMBL417903 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101269 (CHEMBL298922 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H27NO6/c1-3-12-32-20-9-10-21-22(14-20)26(17-4-7-19(31-2)8-5-17)28(15-25(29)30)27(21)18-6-11-23-24(13-18)34-16-33-23/h4-11,13-14,26-27H,3,12,15-16H2,1-2H3,(H,29,30)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101255 (CHEMBL263723 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H31NO11/c1-5-39-17-7-8-18-19(11-17)27(20-12-23(36-2)29(37-3)30(38-4)28(20)40-14-25(34)35)31(13-24(32)33)26(18)16-6-9-21-22(10-16)42-15-41-21/h6-12,26-27H,5,13-15H2,1-4H3,(H,32,33)(H,34,35)/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101273 (CHEMBL48261 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cc(OC)c(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H31NO11/c1-5-39-17-7-8-18-19(11-17)27(20-12-23(36-2)29(37-3)30(38-4)28(20)40-14-25(34)35)31(13-24(32)33)26(18)16-6-9-21-22(10-16)42-15-41-21/h6-12,26-27H,5,13-15H2,1-4H3,(H,32,33)(H,34,35)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101272 (CHEMBL299095 | {(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101267 (CHEMBL52110 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101248 (CHEMBL297353 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES COc1ccc(cc1)[C@H]1N(CC(O)=O)[C@@H](c2ccc(OC)cc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H23NO6/c1-29-17-6-3-15(4-7-17)24-20-12-18(30-2)8-9-19(20)25(26(24)13-23(27)28)16-5-10-21-22(11-16)32-14-31-21/h3-12,24-25H,13-14H2,1-2H3,(H,27,28)/t24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101256 ((1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-2-(1H-tet...) Show SMILES CCOc1ccc2[C@H](N([C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1nnn[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H27N5O6/c1-5-36-17-7-8-18-19(13-17)25(16-11-22(33-2)26(35-4)23(12-16)34-3)32(27-28-30-31-29-27)24(18)15-6-9-20-21(10-15)38-14-37-20/h6-13,24-25H,5,14H2,1-4H3,(H,28,29,30,31)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101252 (CHEMBL432499 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCOc1ccc2[C@H](N([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H25NO10/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(30)31)29(27(32)28(33)34)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,30,31)(H,33,34)/t25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101266 (CHEMBL47563 | [(1S,3R)-1-(2-Carboxymethoxy-4-metho...) Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O Show InChI InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101265 (CHEMBL298569 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H29NO8/c1-3-34-19-6-7-20-22(13-19)28(21-8-5-18(33-2)14-24(21)35-11-10-30)29(15-26(31)32)27(20)17-4-9-23-25(12-17)37-16-36-23/h4-9,12-14,27-28,30H,3,10-11,15-16H2,1-2H3,(H,31,32)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101270 (CHEMBL49007 | [(1S,3S)-1-(2-Carboxymethoxy-4-metho...) Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O Show InChI InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair