Compile Data Set for Download or QSAR

Found 586 hits with Last Name = 'keiser' and Initial = 'j'   

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
Type-1 angiotensin II receptor A (RAT)	BDBM82259 (CAS_123856 | L-158,809 | NSC_123856) Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50009338 ((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...) Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50009338 ((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...) Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50011977 ((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...) Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM82258 (CAS_114798-26-4 | Losartan | NSC_3961) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322737 (2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-...) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C24H18ClF3N2O4/c25-18-12-11-17(24(26,27)28)13-19(18)30-23(33)21(15-7-3-1-4-8-15)34-20(31)14-29-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322741 (2-(3-chloro-4-methoxyphenylamino)-2-oxoethyl 2-(1,...) Show SMILES COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl |c:23| Show InChI InChI=1S/C23H27ClN2O6/c1-13(2)10-18(26-21(28)15-6-4-5-7-16(15)22(26)29)23(30)32-12-20(27)25-14-8-9-19(31-3)17(24)11-14/h4-5,8-9,11,13,15-16,18H,6-7,10,12H2,1-3H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322742 (CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...) Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50322743 (8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...) Show SMILES Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1 Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322734 (CHEMBL1172022 | N-(1-(2-(furan-2-yl)-2-(piperidin-...) Show SMILES CC(C)C(NC(=O)c1ccco1)C(=O)NCC(N1CCCCC1)c1ccco1 Show InChI InChI=1S/C21H29N3O4/c1-15(2)19(23-20(25)18-9-7-13-28-18)21(26)22-14-16(17-8-6-12-27-17)24-10-4-3-5-11-24/h6-9,12-13,15-16,19H,3-5,10-11,14H2,1-2H3,(H,22,26)(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50044576 (2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-n1cccc1C(=O)C(F)(F)F Show InChI InChI=1S/C27H22F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM82259 (CAS_123856 | L-158,809 | NSC_123856) Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM82258 (CAS_114798-26-4 | Losartan | NSC_3961) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50011977 ((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...) Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 272: 963-9 (1995) BindingDB Entry DOI: 10.7270/Q2J38R2N
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077930 (5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...) Show SMILES COC(=O)CCCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:13| Show InChI InChI=1S/C33H34O11/c1-37-23-11-9-22(10-12-23)33(36)24(30(32(35)44-33)21-8-13-25-26(18-21)43-19-42-25)15-20-16-27(38-2)31(40-4)28(17-20)41-14-6-5-7-29(34)39-3/h8-13,16-18,36H,5-7,14-15,19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077933 (4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...) Show SMILES COC(=O)CCCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:12| Show InChI InChI=1S/C32H32O11/c1-36-22-10-8-21(9-11-22)32(35)23(29(31(34)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(37-2)30(39-4)27(16-19)40-13-5-6-28(33)38-3/h7-12,15-17,35H,5-6,13-14,18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057169 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES CCOc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OCC)c1OCC |t:7| Show InChI InChI=1S/C31H32O9/c1-5-35-26-15-19(16-27(36-6-2)29(26)37-7-3)14-23-28(20-8-13-24-25(17-20)39-18-38-24)30(32)40-31(23,33)21-9-11-22(34-4)12-10-21/h8-13,15-17,33H,5-7,14,18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077935 (CHEMBL308646 | {5-[4-Benzo[1,3]dioxol-5-yl-2-hydro...) Show SMILES COC(=O)COc1cc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc(OC)c1OC |t:10| Show InChI InChI=1S/C30H28O11/c1-34-20-8-6-19(7-9-20)30(33)21(27(29(32)41-30)18-5-10-22-23(14-18)40-16-39-22)11-17-12-24(35-2)28(37-4)25(13-17)38-15-26(31)36-3/h5-10,12-14,33H,11,15-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077934 (3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(2-morp...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C33H35NO10/c1-37-24-7-5-23(6-8-24)33(36)25(30(32(35)44-33)22-4-9-26-27(19-22)43-20-42-26)16-21-17-28(38-2)31(39-3)29(18-21)41-15-12-34-10-13-40-14-11-34/h4-9,17-19,36H,10-16,20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077936 (4-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C31H30O11/c1-36-21-9-7-20(8-10-21)31(35)22(28(30(34)42-31)19-6-11-23-24(16-19)41-17-40-23)13-18-14-25(37-2)29(38-3)26(15-18)39-12-4-5-27(32)33/h6-11,14-16,35H,4-5,12-13,17H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077946 (5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C32H32O11/c1-37-22-10-8-21(9-11-22)32(36)23(29(31(35)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(38-2)30(39-3)27(16-19)40-13-5-4-6-28(33)34/h7-12,15-17,36H,4-6,13-14,18H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057164 (CHEMBL10862 | Sodium; (Z)-2-(7-methoxy-benzo[1,3]d...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(OC)c1OC)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1 Show InChI InChI=1S/C29H28O10/c1-33-19-9-6-16(7-10-19)25(30)20(12-17-8-11-21(34-2)28(37-5)26(17)36-4)24(29(31)32)18-13-22(35-3)27-23(14-18)38-15-39-27/h6-11,13-14H,12,15H2,1-5H3,(H,31,32)/p-1/b24-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077944 (CHEMBL408055 | Sodium; 3-{5-[4-benzo[1,3]dioxol-5-...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCS([O-])(=O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C30H30O12S/c1-36-21-8-6-20(7-9-21)30(32)22(27(29(31)42-30)19-5-10-23-24(16-19)41-17-40-23)13-18-14-25(37-2)28(38-3)26(15-18)39-11-4-12-43(33,34)35/h5-10,14-16,32H,4,11-13,17H2,1-3H3,(H,33,34,35)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057202 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-3-m...) Show SMILES COc1ccc(cc1C)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:15| Show InChI InChI=1S/C29H28O9/c1-16-10-19(7-9-21(16)32-2)29(31)20(11-17-12-24(33-3)27(35-5)25(13-17)34-4)26(28(30)38-29)18-6-8-22-23(14-18)37-15-36-22/h6-10,12-14,31H,11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057150 (5-Hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5-yl)-5-(4...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1cc2OCOc2c(OC)c1 |c:14| Show InChI InChI=1S/C29H28O10/c1-32-19-8-6-18(7-9-19)29(31)20(10-16-11-21(33-2)26(36-5)22(12-16)34-3)25(28(30)39-29)17-13-23(35-4)27-24(14-17)37-15-38-27/h6-9,11-14,31H,10,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077941 (3-Benzo[1,3]dioxol-5-yl-4-[3,4-dimethoxy-5-(3-morp...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C34H37NO10/c1-38-25-8-6-24(7-9-25)34(37)26(31(33(36)45-34)23-5-10-27-28(20-23)44-21-43-27)17-22-18-29(39-2)32(40-3)30(19-22)42-14-4-11-35-12-15-41-16-13-35/h5-10,18-20,37H,4,11-17,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057178 (CHEMBL10847 | Sodium; (Z)-2-(7-methoxy-benzo[1,3]d...) Show SMILES COc1cc(cc2OCOc12)C(\C([O-])=O)=C(/Cc1ccc(OC)c(OC)c1OC)C(=O)c1ccc(OC)c(C)c1 Show InChI InChI=1S/C30H30O10/c1-16-11-17(7-9-21(16)34-2)26(31)20(12-18-8-10-22(35-3)29(38-6)27(18)37-5)25(30(32)33)19-13-23(36-4)28-24(14-19)39-15-40-28/h7-11,13-14H,12,15H2,1-6H3,(H,32,33)/p-1/b25-20-	PDB UniProtKB/SwissProt antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057189 (5-Hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5-yl)-5-(4...) Show SMILES COc1cc(cc2OCOc12)C1=C(Cc2cc(OC)c(OC)c(OC)c2)C(O)(OC1=O)c1ccc(OC)c(C)c1 |c:13| Show InChI InChI=1S/C30H30O10/c1-16-9-19(7-8-21(16)33-2)30(32)20(10-17-11-22(34-3)27(37-6)23(12-17)35-4)26(29(31)40-30)18-13-24(36-5)28-25(14-18)38-15-39-28/h7-9,11-14,32H,10,15H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057166 (CHEMBL10922 | Sodium; (Z)-2-benzo[1,3]dioxol-5-yl-...) Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-16-10-19(7-8-21(16)33-2)27(30)20(11-17-12-24(34-3)28(36-5)25(13-17)35-4)26(29(31)32)18-6-9-22-23(14-18)38-15-37-22/h6-10,12-14H,11,15H2,1-5H3,(H,31,32)/p-1/b26-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077943 (3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C32H35NO9/c1-33(2)13-6-14-39-28-17-20(16-27(37-4)30(28)38-5)15-24-29(21-7-12-25-26(18-21)41-19-40-25)31(34)42-32(24,35)22-8-10-23(36-3)11-9-22/h7-12,16-18,35H,6,13-15,19H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034267 (3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057153 (CHEMBL10832 | Sodium; (Z)-2-benzo[1,3]dioxol-5-yl-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(OC)c1OC)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H26O9/c1-32-19-9-5-16(6-10-19)25(29)20(13-18-8-12-22(33-2)27(35-4)26(18)34-3)24(28(30)31)17-7-11-21-23(14-17)37-15-36-21/h5-12,14H,13,15H2,1-4H3,(H,30,31)/p-1/b24-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057154 (CHEMBL10697 | N-{4-[4-Benzo[1,3]dioxol-5-yl-2-hydr...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(NC(C)=O)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C27H23NO7/c1-16(29)28-20-8-3-17(4-9-20)13-22-25(18-5-12-23-24(14-18)34-15-33-23)26(30)35-27(22,31)19-6-10-21(32-2)11-7-19/h3-12,14,31H,13,15H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057179 (3-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-benzyl)-5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C27H24O8/c1-30-19-8-6-18(7-9-19)27(29)20(12-16-4-10-21(31-2)23(13-16)32-3)25(26(28)35-27)17-5-11-22-24(14-17)34-15-33-22/h4-11,13-14,29H,12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057181 (3-Benzo[1,3]dioxol-5-yl-4-(3,5-dimethoxy-benzyl)-5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)cc(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C27H24O8/c1-30-19-7-5-18(6-8-19)27(29)22(12-16-10-20(31-2)14-21(11-16)32-3)25(26(28)35-27)17-4-9-23-24(13-17)34-15-33-23/h4-11,13-14,29H,12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057167 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)cc1OC)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-17-13-23(33-3)24(34-4)14-22(17)32-2)26(27(29)37-28)16-5-10-21-25(12-16)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034259 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methoxy-ben...) Show SMILES COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc3OCOc3c2)cc1 |t:7| Show InChI InChI=1S/C26H22O7/c1-29-19-8-3-16(4-9-19)13-21-24(17-5-12-22-23(14-17)32-15-31-22)25(27)33-26(21,28)18-6-10-20(30-2)11-7-18/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077947 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C32H33NO8/c1-36-25-9-7-24(8-10-25)32(35)27(30(31(34)41-32)23-6-11-28-29(20-23)40-21-39-28)19-22-4-2-5-26(18-22)38-15-3-12-33-13-16-37-17-14-33/h2,4-11,18,20,35H,3,12-17,19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077938 (3-Benzo[1,3]dioxol-5-yl-4-{3,4-dimethoxy-5-[3-(4-m...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN2CCN(C)CC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C35H40N2O9/c1-36-13-15-37(16-14-36)12-5-17-43-31-20-23(19-30(41-3)33(31)42-4)18-27-32(24-6-11-28-29(21-24)45-22-44-28)34(38)46-35(27,39)25-7-9-26(40-2)10-8-25/h6-11,19-21,39H,5,12-18,22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057194 (3-Benzo[1,3]dioxol-5-yl-4-(2,5-dimethoxy-benzyl)-5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)ccc1OC)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C27H24O8/c1-30-19-7-5-18(6-8-19)27(29)21(13-17-12-20(31-2)9-11-22(17)32-3)25(26(28)35-27)16-4-10-23-24(14-16)34-15-33-23/h4-12,14,29H,13,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034269 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methoxy-3-m...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(OC)c(C)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C27H24O7/c1-16-12-17(4-10-22(16)31-3)13-21-25(18-5-11-23-24(14-18)33-15-32-23)26(28)34-27(21,29)19-6-8-20(30-2)9-7-19/h4-12,14,29H,13,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077945 (3-Benzo[1,3]dioxol-5-yl-4-[3-(2-dimethylamino-etho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCN(C)C)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C31H33NO9/c1-32(2)12-13-38-27-16-19(15-26(36-4)29(27)37-5)14-23-28(20-6-11-24-25(17-20)40-18-39-24)30(33)41-31(23,34)21-7-9-22(35-3)10-8-21/h6-11,15-17,34H,12-14,18H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057192 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(3-methoxy-ben...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OC)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O7/c1-29-19-9-7-18(8-10-19)26(28)21(13-16-4-3-5-20(12-16)30-2)24(25(27)33-26)17-6-11-22-23(14-17)32-15-31-22/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057207 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(SC)cc1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O6S/c1-29-19-8-6-18(7-9-19)26(28)21(13-16-3-10-20(33-2)11-4-16)24(25(27)32-26)17-5-12-22-23(14-17)31-15-30-22/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50077942 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc(OCCN2CCOCC2)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C31H31NO8/c1-35-24-8-6-23(7-9-24)31(34)26(29(30(33)40-31)22-5-10-27-28(19-22)39-20-38-27)18-21-3-2-4-25(17-21)37-16-13-32-11-14-36-15-12-32/h2-10,17,19,34H,11-16,18,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057160 (3-Benzo[1,3]dioxol-5-yl-5-hydroxy-4-(4-methanesulf...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccc(cc1)S(C)(=O)=O)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C26H22O8S/c1-31-19-8-6-18(7-9-19)26(28)21(13-16-3-10-20(11-4-16)35(2,29)30)24(25(27)34-26)17-5-12-22-23(14-17)33-15-32-22/h3-12,14,28H,13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057213 (CHEMBL10905 | Potassium; (Z)-3-(4-acetylamino-benz...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(NC(C)=O)cc1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H23NO7/c1-16(29)28-20-8-3-17(4-9-20)13-22(26(30)18-5-10-21(33-2)11-6-18)25(27(31)32)19-7-12-23-24(14-19)35-15-34-23/h3-12,14H,13,15H2,1-2H3,(H,28,29)(H,31,32)/p-1/b25-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50057191 (4-Benzyl-5-hydroxy-3-(7-methoxy-benzo[1,3]dioxol-5...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1cc2OCOc2c(OC)c1 |c:14| Show InChI InChI=1S/C26H22O7/c1-29-19-10-8-18(9-11-19)26(28)20(12-16-6-4-3-5-7-16)23(25(27)33-26)17-13-21(30-2)24-22(14-17)31-15-32-24/h3-11,13-14,28H,12,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair

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