Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'didierlaurent' and Initial = 's'   

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/B (RAT)	BDBM50470233 (CHEMBL80177) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C30H31N3O5S2/c1-3-4-14-26-31-29(39-2)28(30(35)36)33(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)40(37,38)32-27(34)19-21-10-6-5-7-11-21/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470229 (CHEMBL76870) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C29H29N3O5S2/c1-3-4-14-25-30-28(38-2)26(29(34)35)32(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)39(36,37)31-27(33)22-10-6-5-7-11-22/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,31,33)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470239 (CHEMBL311312) Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C27H33N3O6S2/c1-4-6-12-23-28-25(37-3)24(26(31)32)30(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(34,35)29-27(33)36-17-7-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470236 (CHEMBL309313) Show SMILES CCCCc1nc(SC)c(C(=O)OCc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C33H38N4O5S2/c1-4-6-16-29-35-31(43-3)30(32(38)42-23-25-12-8-7-9-13-25)37(29)22-24-17-19-26(20-18-24)27-14-10-11-15-28(27)44(40,41)36-33(39)34-21-5-2/h7-15,17-20H,4-6,16,21-23H2,1-3H3,(H2,34,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470206 (CHEMBL445365) Show SMILES CCCCc1nc(SCSC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C27H34N4O5S3/c1-4-6-11-23-29-25(38-18-37-3)24(26(32)33)31(23)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)39(35,36)30-27(34)28-16-5-2/h7-10,12-15H,4-6,11,16-18H2,1-3H3,(H,32,33)(H2,28,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470235 (CHEMBL308135) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C Show InChI InChI=1S/C27H33N3O6S2/c1-5-6-11-23-28-25(37-4)24(26(31)32)30(23)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)38(34,35)29-27(33)36-17-18(2)3/h7-10,12-15,18H,5-6,11,16-17H2,1-4H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50213569 (CHEMBL78866) Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C27H34N4O5S2/c1-4-6-12-23-29-25(37-3)24(26(32)33)31(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(35,36)30-27(34)28-17-7-5-2/h8-11,13-16H,4-7,12,17-18H2,1-3H3,(H,32,33)(H2,28,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470226 (CHEMBL311827) Show SMILES CCCCc1nc(Sc2cccs2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H32N4O5S3/c1-3-5-11-24-31-27(40-25-12-8-18-39-25)26(28(34)35)33(24)19-20-13-15-21(16-14-20)22-9-6-7-10-23(22)41(37,38)32-29(36)30-17-4-2/h6-10,12-16,18H,3-5,11,17,19H2,1-2H3,(H,34,35)(H2,30,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50213557 (CHEMBL309602) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC Show InChI InChI=1S/C25H30N4O5S2/c1-4-6-11-21-27-23(35-3)22(24(30)31)29(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)36(33,34)28-25(32)26-5-2/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50031491 (2-propyl-4-(methythio)-1-[[[2'-[(propylamino)carbo...) Show SMILES CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C25H30N4O5S2/c1-4-8-21-27-23(35-3)22(24(30)31)29(21)16-17-11-13-18(14-12-17)19-9-6-7-10-20(19)36(33,34)28-25(32)26-15-5-2/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,30,31)(H2,26,28,32)	PDB UniProtKB/SwissProt 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
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470225 (CHEMBL80700) Show SMILES CCCCc1nc(SCCCO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C28H36N4O6S2/c1-3-5-11-24-30-26(39-18-8-17-33)25(27(34)35)32(24)19-20-12-14-21(15-13-20)22-9-6-7-10-23(22)40(37,38)31-28(36)29-16-4-2/h6-7,9-10,12-15,33H,3-5,8,11,16-19H2,1-2H3,(H,34,35)(H2,29,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470250 (CHEMBL77308) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC Show InChI InChI=1S/C26H31N3O5S2/c1-4-6-12-22-27-25(35-3)24(26(31)32)29(22)17-18-13-15-19(16-14-18)20-10-7-8-11-21(20)36(33,34)28-23(30)9-5-2/h7-8,10-11,13-16H,4-6,9,12,17H2,1-3H3,(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470223 (CHEMBL312386) Show SMILES CCCCc1nc(Sc2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C31H34N4O5S2/c1-3-5-15-27-33-29(41-24-11-7-6-8-12-24)28(30(36)37)35(27)21-22-16-18-23(19-17-22)25-13-9-10-14-26(25)42(39,40)34-31(38)32-20-4-2/h6-14,16-19H,3-5,15,20-21H2,1-2H3,(H,36,37)(H2,32,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470249 (CHEMBL309845) Show SMILES CCCCc1nc(SCC(F)(F)C(F)(F)CO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H34F4N4O6S2/c1-3-5-10-23-35-25(44-18-29(32,33)28(30,31)17-38)24(26(39)40)37(23)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)45(42,43)36-27(41)34-15-4-2/h6-9,11-14,38H,3-5,10,15-18H2,1-2H3,(H,39,40)(H2,34,36,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470241 (CHEMBL305638) Show SMILES CCCCc1nc(SCCCCOC(C)=O)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C31H40N4O7S2/c1-4-6-13-27-33-29(43-20-10-9-19-42-22(3)36)28(30(37)38)35(27)21-23-14-16-24(17-15-23)25-11-7-8-12-26(25)44(40,41)34-31(39)32-18-5-2/h7-8,11-12,14-17H,4-6,9-10,13,18-21H2,1-3H3,(H,37,38)(H2,32,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50031537 (2-Butyl-3-(N'-propylureidylsulfonyl-biphenyl-4-ylm...) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H32N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470227 (CHEMBL76538) Show SMILES CCCCc1nc(SC)c(C(=O)NC(C(C)CC)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C32H43N5O6S2/c1-6-9-14-26-34-30(44-5)28(29(38)35-27(31(39)40)21(4)8-3)37(26)20-22-15-17-23(18-16-22)24-12-10-11-13-25(24)45(42,43)36-32(41)33-19-7-2/h10-13,15-18,21,27H,6-9,14,19-20H2,1-5H3,(H,35,38)(H,39,40)(H2,33,36,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470234 (CHEMBL76948) Show SMILES CCCCc1nc(SCCCCO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H38N4O6S2/c1-3-5-12-25-31-27(40-19-9-8-18-34)26(28(35)36)33(25)20-21-13-15-22(16-14-21)23-10-6-7-11-24(23)41(38,39)32-29(37)30-17-4-2/h6-7,10-11,13-16,34H,3-5,8-9,12,17-20H2,1-2H3,(H,35,36)(H2,30,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470228 (CHEMBL80971) Show SMILES CCCCc1nc(SC)c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C28H36N4O5S2/c1-5-8-13-24-30-26(38-4)25(27(33)37-7-3)32(24)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)39(35,36)31-28(34)29-18-6-2/h9-12,14-17H,5-8,13,18-19H2,1-4H3,(H2,29,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50031530 (2-Butyl-4-(methylthio)-1-[[2'-[[[(propylamino)carb...) Show SMILES CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H32N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,33)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470243 (CHEMBL306157) Show SMILES CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H30F2N4O5S2/c1-3-5-10-21-30-23(38-25(27)28)22(24(33)34)32(21)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)39(36,37)31-26(35)29-15-4-2/h6-9,11-14,25H,3-5,10,15-16H2,1-2H3,(H,33,34)(H2,29,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470219 (CHEMBL305604) Show SMILES CCCCc1nc(SCC(F)(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C27H31F3N4O5S2/c1-3-5-10-22-32-24(40-17-27(28,29)30)23(25(35)36)34(22)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)41(38,39)33-26(37)31-15-4-2/h6-9,11-14H,3-5,10,15-17H2,1-2H3,(H,35,36)(H2,31,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470212 (CHEMBL80622) Show SMILES CCCCc1nc(SC)c(C(=O)OC(C)(C)C)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C30H40N4O5S2/c1-7-9-14-25-32-27(40-6)26(28(35)39-30(3,4)5)34(25)20-21-15-17-22(18-16-21)23-12-10-11-13-24(23)41(37,38)33-29(36)31-19-8-2/h10-13,15-18H,7-9,14,19-20H2,1-6H3,(H2,31,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470217 (CHEMBL77138) Show SMILES CCCCc1nc(SC(F)(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H29F3N4O5S2/c1-3-5-10-21-31-23(39-26(27,28)29)22(24(34)35)33(21)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)40(37,38)32-25(36)30-15-4-2/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,34,35)(H2,30,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470214 (CHEMBL77360) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O6S3/c1-3-4-9-19-27-21(36-2)20(22(30)31)29(19)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)37(32,33)28-38(34,35)23(24,25)26/h5-8,10-13,28H,3-4,9,14H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470240 (CHEMBL432158) Show SMILES CCCCc1nc(SC)c(C(=O)NS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C32H37N5O6S3/c1-4-6-16-28-34-31(44-3)29(30(38)35-45(40,41)25-12-8-7-9-13-25)37(28)22-23-17-19-24(20-18-23)26-14-10-11-15-27(26)46(42,43)36-32(39)33-21-5-2/h7-15,17-20H,4-6,16,21-22H2,1-3H3,(H,35,38)(H2,33,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470230 (CHEMBL76799) Show SMILES CCCCc1nc(SC)c(C(=O)NCC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C29H37N5O6S2/c1-5-7-12-24-32-28(41-4)26(27(36)31-18-25(35)40-3)34(24)19-20-13-15-21(16-14-20)22-10-8-9-11-23(22)42(38,39)33-29(37)30-17-6-2/h8-11,13-16H,5-7,12,17-19H2,1-4H3,(H,31,36)(H2,30,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093978 (2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)| Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-2-1-7-34-20)26-27(22(16)24(30)31)11-13-3-5-14(6-4-13)23(28)29/h1-2,7,9-10,13-14H,3-6,8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470248 (CHEMBL311847) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccnc1 Show InChI InChI=1S/C29H31N5O5S2/c1-3-4-11-25-32-27(40-2)26(28(35)36)34(25)19-20-12-14-22(15-13-20)23-9-5-6-10-24(23)41(38,39)33-29(37)31-18-21-8-7-16-30-17-21/h5-10,12-17H,3-4,11,18-19H2,1-2H3,(H,35,36)(H2,31,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470224 (CHEMBL311189) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC Show InChI InChI=1S/C24H27N3O6S2/c1-4-5-10-20-25-22(34-3)21(23(28)29)27(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)35(31,32)26-24(30)33-2/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470208 (CHEMBL80900) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC Show InChI InChI=1S/C25H29N3O6S2/c1-4-6-11-21-26-23(35-3)22(24(29)30)28(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)36(32,33)27-25(31)34-5-2/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,27,31)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470246 (CHEMBL306085) Show SMILES CCCCc1nc(SC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C26H33N5O4S2/c1-4-6-11-22-29-25(36-3)23(24(27)32)31(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)30-26(33)28-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,27,32)(H2,28,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470231 (CHEMBL76613) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C25H29ClN4O5S/c1-3-5-10-21-28-23(26)22(24(31)32)30(21)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)36(34,35)29-25(33)27-15-4-2/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,31,32)(H2,27,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470237 (CHEMBL306778) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)=O Show InChI InChI=1S/C24H27N3O5S2/c1-4-5-10-21-25-23(33-3)22(24(29)30)27(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)34(31,32)26-16(2)28/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,28)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093997 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1 Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470238 (CHEMBL80908) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)CC Show InChI InChI=1S/C24H29N3O6S3/c1-4-6-11-21-25-23(34-3)22(24(28)29)27(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)36(32,33)26-35(30,31)5-2/h7-10,12-15,26H,4-6,11,16H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470222 (CHEMBL443069) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC=C Show InChI InChI=1S/C26H30N4O5S2/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2/h5,7-10,12-15H,2,4,6,11,16-17H2,1,3H3,(H,31,32)(H2,27,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093996 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1 Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093987 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1 Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50094000 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1 Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470216 (CHEMBL310267) Show SMILES CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc(SC)c2C(O)=O)cc1 Show InChI InChI=1S/C24H28N4O5S2/c1-4-14-25-24(31)27-35(32,33)19-9-7-6-8-18(19)17-12-10-16(11-13-17)15-28-20(5-2)26-22(34-3)21(28)23(29)30/h6-13H,4-5,14-15H2,1-3H3,(H,29,30)(H2,25,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470245 (CHEMBL78169) Show SMILES CCCCc1nc(SC)c(C(=O)NCC(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C28H35N5O6S2/c1-4-6-11-23-31-27(40-3)25(26(36)30-17-24(34)35)33(23)18-19-12-14-20(15-13-19)21-9-7-8-10-22(21)41(38,39)32-28(37)29-16-5-2/h7-10,12-15H,4-6,11,16-18H2,1-3H3,(H,30,36)(H,34,35)(H2,29,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50093997 (4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1 Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470207 (CHEMBL413491) Show SMILES CCCCc1nc(SC)c(C(=O)NC(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C28H35N5O5S2/c1-5-7-12-24-31-27(39-4)25(26(35)30-19(3)34)33(24)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)40(37,38)32-28(36)29-17-6-2/h8-11,13-16H,5-7,12,17-18H2,1-4H3,(H2,29,32,36)(H,30,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470242 (CHEMBL80181) Show SMILES [#6]-[#6]-[#6]-[#6]-c1nc(-[#16]-[#6])c(-[#6](-[#8])=O)n1-[#6]-c1ccc(cc1)-c1ccccc1S(=O)(=O)[#7]-[#6](=O)-[#8]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C28H33N3O6S2/c1-5-6-11-24-29-26(38-4)25(27(32)33)31(24)18-20-12-14-21(15-13-20)22-9-7-8-10-23(22)39(35,36)30-28(34)37-17-16-19(2)3/h7-10,12-16H,5-6,11,17-18H2,1-4H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50213556 (CHEMBL310610) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC Show InChI InChI=1S/C24H28N4O5S2/c1-4-5-10-20-26-22(34-3)21(23(29)30)28(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)35(32,33)27-24(31)25-2/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,29,30)(H2,25,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470221 (CHEMBL78445) Show SMILES CCCCc1nc(SC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC Show InChI InChI=1S/C27H35N5O4S2/c1-5-7-12-23-30-26(37-4)24(25(33)28-3)32(23)18-19-13-15-20(16-14-19)21-10-8-9-11-22(21)38(35,36)31-27(34)29-17-6-2/h8-11,13-16H,5-7,12,17-18H2,1-4H3,(H,28,33)(H2,29,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/B (RAT)	BDBM50470252 (CHEMBL441990) Show SMILES CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)\N=C(\S)NCCC Show InChI InChI=1S/C26H32N4O4S3/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(33,34)29-26(35)27-16-5-2/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Roussel PGU Cardiovascular Agents Curated by ChEMBL					Assay Description Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane				J Med Chem 38: 2357-77 (1995) Article DOI: 10.1021/jm00013a013 BindingDB Entry DOI: 10.7270/Q2KK9FH8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093985 (2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cc(cc2COCOc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50093999 (2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...) Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1 Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair

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