Compile Data Set for Download or QSAR

Found 350 hits Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A'   

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 (Sus scrofa)	BDBM50000558 (CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304494 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-bromoethoxy)-4,5-d...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCBr)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C29H27BrO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304495 (2-{4-[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-5-oxo-3-...) Show SMILES COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCOc3ccc(cc3)S(C)(=O)=O)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:6| Show InChI InChI=1S/C36H34O12S/c1-41-31-18-22(19-32(42-2)34(31)43-3)17-28-33(23-5-14-29-30(20-23)47-21-46-29)35(37)48-36(28,38)24-6-8-25(9-7-24)44-15-16-45-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304496 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCF)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304496 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCF)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C29H27FO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304497 (2-(5-{[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-me...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOc2ccc(cc2)S(C)(=O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C36H34O12S/c1-41-25-8-6-24(7-9-25)36(38)28(33(35(37)48-36)23-5-14-29-30(20-23)47-21-46-29)17-22-18-31(42-2)34(43-3)32(19-22)45-16-15-44-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336694 (3-Benzo[1,3]dioxol-5-yl-4-{3-(2-(2-(2-(2-fluoroeth...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCF)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C35H39FO12/c1-39-26-7-5-25(6-8-26)35(38)27(32(34(37)48-35)24-4-9-28-29(21-24)47-22-46-28)18-23-19-30(40-2)33(41-3)31(20-23)45-17-16-44-15-14-43-13-12-42-11-10-36/h4-9,19-21,38H,10-18,22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336695 (3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoro...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCc2cn(CCOCCOCCOCCF)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-23-28-22-42(41-40-28)11-13-49-15-17-50-16-14-48-12-10-39/h4-9,19-22,44H,10-18,23-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304498 (3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)pheny...) Show SMILES COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCF)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:6| Show InChI InChI=1S/C29H27FO9/c1-33-24-13-17(14-25(34-2)27(24)35-3)12-21-26(18-4-9-22-23(15-18)38-16-37-22)28(31)39-29(21,32)19-5-7-20(8-6-19)36-11-10-30/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336697 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{4-[4-(2-...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CCCCOc3cccnc3F)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C46H51FN4O13/c1-54-35-12-10-33(11-13-35)46(53)36(42(45(52)64-46)32-9-14-37-39(28-32)63-30-62-37)25-31-26-40(55-2)43(56-3)41(27-31)61-24-23-59-22-21-58-20-19-57-18-16-51-29-34(49-50-51)7-4-5-17-60-38-8-6-15-48-44(38)47/h6,8-15,26-29,53H,4-5,7,16-25,30H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336699 (CHEMBL1672884 | N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]d...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CN(C)S(=O)(=O)c3ccc(F)cc3)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C45H49FN4O14S/c1-49(65(53,54)36-12-8-33(46)9-13-36)27-34-28-50(48-47-34)15-16-58-17-18-59-19-20-60-21-22-61-41-25-30(24-40(56-3)43(41)57-4)23-37-42(31-5-14-38-39(26-31)63-29-62-38)44(51)64-45(37,52)32-6-10-35(55-2)11-7-32/h5-14,24-26,28,52H,15-23,27,29H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336696 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{1-[2-(2-...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCOCc2cn(CCOCCOCCOCCOc3cccnc3F)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C51H61FN4O17/c1-59-40-9-7-38(8-10-40)51(58)41(47(50(57)73-51)37-6-11-42-44(32-37)72-35-71-42)29-36-30-45(60-2)48(61-3)46(31-36)70-28-26-67-22-20-64-17-18-65-23-24-68-34-39-33-56(55-54-39)13-14-62-15-16-63-19-21-66-25-27-69-43-5-4-12-53-49(43)52/h4-12,30-33,58H,13-29,34-35H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336698 (CHEMBL1672885 | N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]d...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CNS(=O)(=O)c3ccc(F)cc3)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C44H47FN4O14S/c1-54-34-9-5-31(6-10-34)44(51)36(41(43(50)63-44)30-4-13-37-38(25-30)62-28-61-37)22-29-23-39(55-2)42(56-3)40(24-29)60-21-20-59-19-18-58-17-16-57-15-14-49-27-33(47-48-49)26-46-64(52,53)35-11-7-32(45)8-12-35/h4-13,23-25,27,46,51H,14-22,26,28H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50336700 (3-Benzo[1,3]dioxol-5-yl-4-{3-[2-(2-{2-[2-(4-fluoro...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CF)nn2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-17-16-50-15-14-49-13-12-48-11-10-42-23-28(22-39)40-41-42/h4-9,19-21,23,44H,10-18,22,24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Mu£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting				J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50304499 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-[4-(2-bromoeth...) Show SMILES COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OCCBr)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:6| Show InChI InChI=1S/C29H27BrO9/c1-33-24-13-17(14-25(34-2)27(24)35-3)12-21-26(18-4-9-22-23(15-18)38-16-37-22)28(31)39-29(21,32)19-5-7-20(8-6-19)36-11-10-30/h4-9,13-15,32H,10-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes				Bioorg Med Chem 17: 7197-208 (2009) Article DOI: 10.1016/j.bmc.2009.08.058 BindingDB Entry DOI: 10.7270/Q27S7NVF
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287885 (CHEMBL405377 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C75H103N15O19/c1-11-41(7)63(74(107)90-64(42(8)12-2)73(106)87-57(75(108)109)33-47-35-77-51-21-17-16-20-50(47)51)88-59(93)37-78-67(100)53(30-39(3)4)84-71(104)56(34-48-36-76-38-79-48)83-65(98)43(9)81-69(102)54(31-45-18-14-13-15-19-45)85-70(103)55(32-46-22-24-49(91)25-23-46)86-72(105)62(40(5)6)89-66(99)44(10)80-68(101)52(26-28-60(94)95)82-58(92)27-29-61(96)97/h13-25,35-36,38-44,52-57,62-64,77,91H,11-12,26-34,37H2,1-10H3,(H,76,79)(H,78,100)(H,80,101)(H,81,102)(H,82,92)(H,83,98)(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,93)(H,89,99)(H,90,107)(H,94,95)(H,96,97)(H,108,109)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287882 (CHEMBL412065 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-Gly-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H101N13O21/c1-11-39(7)61(71(104)83-54(73(106)107)33-45-35-74-48-21-17-16-20-47(45)48)86-72(105)62(40(8)12-2)85-69(102)53(34-59(94)95)81-67(100)50(30-37(3)4)79-56(89)36-75-63(96)41(9)76-66(99)51(31-43-18-14-13-15-19-43)80-68(101)52(32-44-22-24-46(87)25-23-44)82-70(103)60(38(5)6)84-64(97)42(10)77-65(98)49(26-28-57(90)91)78-55(88)27-29-58(92)93/h13-25,35,37-42,49-54,60-62,74,87H,11-12,26-34,36H2,1-10H3,(H,75,96)(H,76,99)(H,77,98)(H,78,88)(H,79,89)(H,80,101)(H,81,100)(H,82,103)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,90,91)(H,92,93)(H,94,95)(H,106,107)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50071433 ((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287890 (CHEMBL427778 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C77H105N15O21/c1-11-41(7)64(75(110)89-58(77(112)113)33-47-36-79-51-21-17-16-20-50(47)51)92-76(111)65(42(8)12-2)91-73(108)57(35-62(99)100)87-70(105)53(30-39(3)4)85-72(107)56(34-48-37-78-38-80-48)84-66(101)43(9)82-69(104)54(31-45-18-14-13-15-19-45)86-71(106)55(32-46-22-24-49(93)25-23-46)88-74(109)63(40(5)6)90-67(102)44(10)81-68(103)52(26-28-60(95)96)83-59(94)27-29-61(97)98/h13-25,36-44,52-58,63-65,79,93H,11-12,26-35H2,1-10H3,(H,78,80)(H,81,103)(H,82,104)(H,83,94)(H,84,101)(H,85,107)(H,86,106)(H,87,105)(H,88,109)(H,89,110)(H,90,102)(H,91,108)(H,92,111)(H,95,96)(H,97,98)(H,99,100)(H,112,113)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287883 (CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287888 (CHEMBL407559 | Suc-Glu-Ala-Val-Tyr-Phe-Gly-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C76H103N15O21/c1-10-41(7)64(74(109)88-57(76(111)112)32-46-35-78-50-20-16-15-19-49(46)50)91-75(110)65(42(8)11-2)90-72(107)56(34-62(99)100)86-69(104)52(29-39(3)4)84-71(106)55(33-47-36-77-38-80-47)83-59(94)37-79-67(102)53(30-44-17-13-12-14-18-44)85-70(105)54(31-45-21-23-48(92)24-22-45)87-73(108)63(40(5)6)89-66(101)43(9)81-68(103)51(25-27-60(95)96)82-58(93)26-28-61(97)98/h12-24,35-36,38-43,51-57,63-65,78,92H,10-11,25-34,37H2,1-9H3,(H,77,80)(H,79,102)(H,81,103)(H,82,93)(H,83,94)(H,84,106)(H,85,105)(H,86,104)(H,87,108)(H,88,109)(H,89,101)(H,90,107)(H,91,110)(H,95,96)(H,97,98)(H,99,100)(H,111,112)/t41-,42-,43-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287887 (CHEMBL413604 | Suc-Glu-Ala-Val-Gly-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O20/c1-11-37(7)58(68(102)82-51(70(104)105)28-42-31-72-45-21-17-16-20-44(42)45)85-69(103)59(38(8)12-2)84-66(100)50(30-56(92)93)81-64(98)47(26-35(3)4)80-65(99)49(29-43-32-71-34-74-43)79-60(94)39(9)76-63(97)48(27-41-18-14-13-15-19-41)78-53(87)33-73-67(101)57(36(5)6)83-61(95)40(10)75-62(96)46(22-24-54(88)89)77-52(86)23-25-55(90)91/h13-21,31-32,34-40,46-51,57-59,72H,11-12,22-30,33H2,1-10H3,(H,71,74)(H,73,101)(H,75,96)(H,76,97)(H,77,86)(H,78,87)(H,79,94)(H,80,99)(H,81,98)(H,82,102)(H,83,95)(H,84,100)(H,85,103)(H,88,89)(H,90,91)(H,92,93)(H,104,105)/t37-,38-,39+,40-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287881 (CHEMBL216772 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)NCC(O)=O Show InChI InChI=1S/C68H98N14O21/c1-11-36(7)56(66(101)70-32-54(91)92)82-68(103)57(37(8)12-2)81-65(100)49(30-53(89)90)78-62(97)45(26-34(3)4)76-64(99)48(29-42-31-69-33-71-42)75-58(93)38(9)73-61(96)46(27-40-16-14-13-15-17-40)77-63(98)47(28-41-18-20-43(83)21-19-41)79-67(102)55(35(5)6)80-59(94)39(10)72-60(95)44(22-24-51(85)86)74-50(84)23-25-52(87)88/h13-21,31,33-39,44-49,55-57,83H,11-12,22-30,32H2,1-10H3,(H,69,71)(H,70,101)(H,72,95)(H,73,96)(H,74,84)(H,75,93)(H,76,99)(H,77,98)(H,78,97)(H,79,102)(H,80,94)(H,81,100)(H,82,103)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t36-,37+,38+,39+,44+,45+,46+,47+,48+,49+,55+,56+,57+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287879 (CHEMBL405753 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(71(106)76-35-57(91)81-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)88-70(105)54(32-60(96)97)85-67(102)50(27-37(2)3)83-69(104)53(31-45-34-74-36-77-45)82-63(98)40(7)79-66(101)51(28-42-15-11-10-12-16-42)84-68(103)52(29-43-19-21-46(89)22-20-43)86-72(107)61(38(4)5)87-64(99)41(8)78-65(100)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,106)(H,78,100)(H,79,101)(H,80,90)(H,81,91)(H,82,98)(H,83,104)(H,84,103)(H,85,102)(H,86,107)(H,87,99)(H,88,105)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287884 (CHEMBL411399 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-39(6)62(72(107)86-55(73(108)109)30-44-33-75-48-18-14-13-17-47(44)48)87-57(91)35-76-65(100)54(32-60(96)97)84-68(103)50(27-37(2)3)82-70(105)53(31-45-34-74-36-77-45)81-63(98)40(7)79-67(102)51(28-42-15-11-10-12-16-42)83-69(104)52(29-43-19-21-46(89)22-20-43)85-71(106)61(38(4)5)88-64(99)41(8)78-66(101)49(23-25-58(92)93)80-56(90)24-26-59(94)95/h10-22,33-34,36-41,49-55,61-62,75,89H,9,23-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,98)(H,82,105)(H,83,104)(H,84,103)(H,85,106)(H,86,107)(H,87,91)(H,88,99)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287889 (CHEMBL412002 | Suc-Glu-Ala-Val-Tyr-Gly-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C70H99N15O21/c1-11-36(7)58(68(103)82-51(70(105)106)27-41-30-72-45-16-14-13-15-44(41)45)85-69(104)59(37(8)12-2)84-66(101)50(29-56(93)94)80-64(99)47(25-34(3)4)79-65(100)49(28-42-31-71-33-74-42)78-60(95)38(9)75-53(88)32-73-62(97)48(26-40-17-19-43(86)20-18-40)81-67(102)57(35(5)6)83-61(96)39(10)76-63(98)46(21-23-54(89)90)77-52(87)22-24-55(91)92/h13-20,30-31,33-39,46-51,57-59,72,86H,11-12,21-29,32H2,1-10H3,(H,71,74)(H,73,97)(H,75,88)(H,76,98)(H,77,87)(H,78,95)(H,79,100)(H,80,99)(H,81,102)(H,82,103)(H,83,96)(H,84,101)(H,85,104)(H,89,90)(H,91,92)(H,93,94)(H,105,106)/t36-,37-,38+,39-,46-,47-,48-,49-,50-,51-,57-,58-,59-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50287886 (CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50071431 ((S)-2-{(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...) Show SMILES CN([C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H31N3O4/c1-19-13-20(2)15-22(14-19)29(35)33(3)27(16-21-9-5-4-6-10-21)28(34)32-26(30(36)37)17-23-18-31-25-12-8-7-11-24(23)25/h4-15,18,26-27,31H,16-17H2,1-3H3,(H,32,34)(H,36,37)/t26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105033 (CHEMBL112531 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O4S/c1-18-5-7-19(8-6-18)23-24(33-38(34,35)22-11-9-20(10-12-22)27(2,3)4)31-17-32-25(23)36-13-14-37-26-29-15-21(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105035 (CHEMBL325511 | N-{5-Benzo[1,3]dioxol-5-yl-6-[2-(5-...) Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc3OCOc3c2)nc1 Show InChI InChI=1S/C28H29N5O6S2/c1-28(2,3)19-6-8-21(9-7-19)41(34,35)33-25-24(18-5-10-22-23(13-18)39-17-38-22)26(32-16-31-25)36-11-12-37-27-29-14-20(40-4)15-30-27/h5-10,13-16H,11-12,17H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00110	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104997 (4-tert-Butyl-N-[6-[2-(5-methylsulfanyl-pyrimidin-2...) Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(cc2)C(F)(F)F)nc1 Show InChI InChI=1S/C28H28F3N5O4S2/c1-27(2,3)19-9-11-22(12-10-19)42(37,38)36-24-23(18-5-7-20(8-6-18)28(29,30)31)25(35-17-34-24)39-13-14-40-26-32-15-21(41-4)16-33-26/h5-12,15-17H,13-14H2,1-4H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00170	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105034 (4-tert-Butyl-N-{6-[2-(5-methoxy-pyrimidin-2-yloxy)...) Show SMILES COc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(C)cc2)nc1 Show InChI InChI=1S/C28H31N5O5S/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)37-14-15-38-27-29-16-22(36-5)17-30-27/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00170	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107562 (CHEMBL168119 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)N1CCC(O)CC1 Show InChI InChI=1S/C32H37BrN6O7S/c1-32(2,3)21-9-11-24(12-10-21)47(41,42)38-28-27(46-26-8-6-5-7-25(26)43-4)29(37-30(36-28)39-15-13-23(40)14-16-39)44-17-18-45-31-34-19-22(33)20-35-31/h5-12,19-20,23,40H,13-18H2,1-4H3,(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105055 (4-tert-Butyl-N-{6-[2-(5-hydroxymethyl-pyrimidin-2-...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(CO)cn1 Show InChI InChI=1S/C28H31N5O5S/c1-19-5-7-21(8-6-19)24-25(33-39(35,36)23-11-9-22(10-12-23)28(2,3)4)31-18-32-26(24)37-13-14-38-27-29-15-20(17-34)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00260	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105048 (CHEMBL112144 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00390	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105048 (CHEMBL112144 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00390	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107561 (CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00530	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105051 (CHEMBL112624 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00620	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105047 (Acetic acid ethyl ester4-tert-Butyl-N-{5-(3,4-dime...) Show SMILES COc1ccc(cc1OC)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1 Show InChI InChI=1S/C29H33N5O6S2/c1-29(2,3)20-8-10-22(11-9-20)42(35,36)34-26-25(19-7-12-23(37-4)24(15-19)38-5)27(33-18-32-26)39-13-14-40-28-30-16-21(41-6)17-31-28/h7-12,15-18H,13-14H2,1-6H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00850	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104986 (4-tert-Butyl-N-{5-(4-ethyl-phenyl)-6-[2-(5-methyls...) Show SMILES CCc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1 Show InChI InChI=1S/C29H33N5O4S2/c1-6-20-7-9-21(10-8-20)25-26(34-40(35,36)24-13-11-22(12-14-24)29(2,3)4)32-19-33-27(25)37-15-16-38-28-30-17-23(39-5)18-31-28/h7-14,17-19H,6,15-16H2,1-5H3,(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105040 (4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(5-meth...) Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(OC)cn2)c1 Show InChI InChI=1S/C28H31N5O7S/c1-28(2,3)19-9-11-23(12-10-19)41(34,35)33-25-24(40-21-8-6-7-20(15-21)36-4)26(32-18-31-25)38-13-14-39-27-29-16-22(37-5)17-30-27/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105026 (CHEMBL115724 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1ccccc1Sc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C27H28BrN5O5S2/c1-27(2,3)18-9-11-20(12-10-18)40(34,35)33-24-23(39-22-8-6-5-7-21(22)36-4)25(32-17-31-24)37-13-14-38-26-29-15-19(28)16-30-26/h5-12,15-17H,13-14H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107567 (CHEMBL170908 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 Show InChI InChI=1S/C30H34BrN5O6S/c1-6-9-25-34-27(36-43(37,38)22-14-12-20(13-15-22)30(2,3)4)26(42-24-11-8-7-10-23(24)39-5)28(35-25)40-16-17-41-29-32-18-21(31)19-33-29/h7-8,10-15,18-19H,6,9,16-17H2,1-5H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105025 (4-tert-Butyl-N-{5-(3-methoxy-phenyl)-6-[2-(5-methy...) Show SMILES COc1cccc(c1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(SC)cn1 Show InChI InChI=1S/C28H31N5O5S2/c1-28(2,3)20-9-11-23(12-10-20)40(34,35)33-25-24(19-7-6-8-21(15-19)36-4)26(32-18-31-25)37-13-14-38-27-29-16-22(39-5)17-30-27/h6-12,15-18H,13-14H2,1-5H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104988 (4-tert-Butyl-N-{6-[2-(5-pyridin-2-yl-pyrimidin-2-y...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ncnc1OCCOc1ncc(cn1)-c1ccccn1 Show InChI InChI=1S/C32H32N6O4S/c1-22-8-10-23(11-9-22)28-29(38-43(39,40)26-14-12-25(13-15-26)32(2,3)4)36-21-37-30(28)41-17-18-42-31-34-19-24(20-35-31)27-7-5-6-16-33-27/h5-16,19-21H,17-18H2,1-4H3,(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105054 (4-tert-Butyl-N-{5-(4-hydroxymethyl-phenyl)-6-[2-(5...) Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc(CO)cc2)nc1 Show InChI InChI=1S/C28H31N5O5S2/c1-28(2,3)21-9-11-23(12-10-21)40(35,36)33-25-24(20-7-5-19(17-34)6-8-20)26(32-18-31-25)37-13-14-38-27-29-15-22(39-4)16-30-27/h5-12,15-16,18,34H,13-14,17H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50105057 (CHEMBL324184 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(CO)cc1 Show InChI InChI=1S/C27H28BrN5O5S/c1-27(2,3)20-8-10-22(11-9-20)39(35,36)33-24-23(19-6-4-18(16-34)5-7-19)25(32-17-31-24)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane				J Med Chem 44: 3369-77 (2001) BindingDB Entry DOI: 10.7270/Q27M08P8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50107556 (CHEMBL170493 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOc1ncc(Br)cn1)-c1ccccn1 Show InChI InChI=1S/C32H31BrN6O4S/c1-21-8-10-22(11-9-21)27-29(39-44(40,41)25-14-12-23(13-15-25)32(2,3)4)37-28(26-7-5-6-16-34-26)38-30(27)42-17-18-43-31-35-19-24(33)20-36-31/h5-16,19-20H,17-18H2,1-4H3,(H,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104992 (CHEMBL114700 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(Br)cn2)c1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50104992 (CHEMBL114700 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ncc(Br)cn2)c1 Show InChI InChI=1S/C27H28BrN5O6S/c1-27(2,3)18-8-10-22(11-9-18)40(34,35)33-24-23(39-21-7-5-6-20(14-21)36-4)25(32-17-31-24)37-12-13-38-26-29-15-19(28)16-30-26/h5-11,14-17H,12-13H2,1-4H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
					More data for this Ligand-Target Pair

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