Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'laurent' 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
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50289137 (6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...) Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1 Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of liver TDO				Eur J Med Chem 54: 95-102 (2012) Article DOI: 10.1016/j.ejmech.2012.04.033 BindingDB Entry DOI: 10.7270/Q2XS5WFD
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350281 (CHEMBL1812527) Show SMILES Clc1cccc2c(\C=C\c3cccnc3)c[nH]c12 Show InChI InChI=1S/C15H11ClN2/c16-14-5-1-4-13-12(10-18-15(13)14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Competitive inhibition of human purified TDO by Henri-Michaelis-Menten equation analysis				Eur J Med Chem 54: 95-102 (2012) Article DOI: 10.1016/j.ejmech.2012.04.033 BindingDB Entry DOI: 10.7270/Q2XS5WFD
					More data for this Ligand-Target Pair
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)	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
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313793 ((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					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)	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)	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)	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)	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)	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)	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)	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
G-protein coupled receptor 183 (Homo sapiens (Human))	BDBM50011716 (CHEMBL3262896) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...				J Med Chem 57: 3358-68 (2014) Article DOI: 10.1021/jm4019355 BindingDB Entry DOI: 10.7270/Q2BG2QJ5
					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)	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
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313795 ((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					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)	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)	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)	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)	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
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313794 ((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...) Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					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)	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)	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)	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
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
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
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
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
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
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
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
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

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