Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'schmitges' and Initial = 'cj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (RAT)	BDBM50070888 (CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010423 ((Morpholinocarbonyl)-Phe-beta-Ala-ACHPA-Ile N-[(4-...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H61N9O7/c1-4-26(2)36(39(54)44-25-30-24-43-27(3)45-37(30)41)48-35(52)23-33(50)31(21-28-11-7-5-8-12-28)46-34(51)15-16-42-38(53)32(22-29-13-9-6-10-14-29)47-40(55)49-17-19-56-20-18-49/h6,9-10,13-14,24,26,28,31-33,36,50H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,42,53)(H,44,54)(H,46,51)(H,47,55)(H,48,52)(H2,41,43,45)/t26-,31-,32-,33-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069575 (3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 |c:14| Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070884 (CHEMBL48907 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010416 (CHEMBL324692 | [[4-(Ethoxycarbonyl)piperdino]carbo...) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C44H67N9O8/c1-5-28(3)39(42(58)48-27-33-26-47-29(4)49-40(33)45)52-38(56)25-36(54)34(23-30-13-9-7-10-14-30)50-37(55)17-20-46-41(57)35(24-31-15-11-8-12-16-31)51-44(60)53-21-18-32(19-22-53)43(59)61-6-2/h8,11-12,15-16,26,28,30,32,34-36,39,54H,5-7,9-10,13-14,17-25,27H2,1-4H3,(H,46,57)(H,48,58)(H,50,55)(H,51,60)(H,52,56)(H2,45,47,49)/t28-,34-,35-,36-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010424 (BOC-Phe-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H62N8O7/c1-8-24(2)34(38(53)43-23-29-22-42-26(4)45-35(29)41)48-33(50)21-32(49)30(19-27-15-11-9-12-16-27)46-36(51)25(3)44-37(52)31(20-28-17-13-10-14-18-28)47-39(54)55-40(5,6)7/h10,13-14,17-18,22,24-25,27,30-32,34,49H,8-9,11-12,15-16,19-21,23H2,1-7H3,(H,43,53)(H,44,52)(H,46,51)(H,47,54)(H,48,50)(H2,41,42,45)/t24-,25-,30-,31-,32-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010419 (4-Dimethylamino-piperidine-1-carboxylic acid {1-[2...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)N(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C43H68N10O6/c1-6-28(2)39(42(58)47-27-32-26-46-29(3)48-40(32)44)51-38(56)25-36(54)34(23-30-13-9-7-10-14-30)49-37(55)17-20-45-41(57)35(24-31-15-11-8-12-16-31)50-43(59)53-21-18-33(19-22-53)52(4)5/h8,11-12,15-16,26,28,30,33-36,39,54H,6-7,9-10,13-14,17-25,27H2,1-5H3,(H,45,57)(H,47,58)(H,49,55)(H,50,59)(H,51,56)(H2,44,46,48)/t28-,34-,35-,36-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010415 ((1-{1-[2-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylme...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C46H72N10O8/c1-7-29(2)40(43(61)50-28-33-27-49-30(3)51-41(33)47)55-39(59)26-37(57)35(24-31-14-10-8-11-15-31)53-38(58)18-21-48-42(60)36(25-32-16-12-9-13-17-32)54-44(62)56-22-19-34(20-23-56)52-45(63)64-46(4,5)6/h9,12-13,16-17,27,29,31,34-37,40,57H,7-8,10-11,14-15,18-26,28H2,1-6H3,(H,48,60)(H,50,61)(H,52,63)(H,53,58)(H,54,62)(H,55,59)(H2,47,49,51)/t29-,35-,36-,37-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010408 (4-Amino-piperidine-1-carboxylic acid {1-[2-(3-{1-[...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C41H64N10O6/c1-4-26(2)37(40(56)46-25-30-24-45-27(3)47-38(30)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-41(57)51-19-16-31(42)17-20-51/h6,9-10,13-14,24,26,28,31-34,37,52H,4-5,7-8,11-12,15-23,25,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,57)(H,50,54)(H2,43,45,47)/t26-,32-,33-,34-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070886 (CHEMBL51234 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1Cl)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23ClN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010431 (CHEMBL320726 | [4-(Carboxypiperidino)carbonyl]-Phe...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(O)=O)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C42H63N9O8/c1-4-26(2)37(40(56)46-25-31-24-45-27(3)47-38(31)43)50-36(54)23-34(52)32(21-28-11-7-5-8-12-28)48-35(53)15-18-44-39(55)33(22-29-13-9-6-10-14-29)49-42(59)51-19-16-30(17-20-51)41(57)58/h6,9-10,13-14,24,26,28,30,32-34,37,52H,4-5,7-8,11-12,15-23,25H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,59)(H,50,54)(H,57,58)(H2,43,45,47)/t26-,32-,33+,34-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010410 (CHEMBL323006 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32+,33-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50034263 (CHEMBL25438 | PD-156707 | Sodium; (Z)-2-benzo[1,3]...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H26O9/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21/h5-10,12-14H,11,15H2,1-4H3,(H,30,31)/p-1/b25-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070881 (CHEMBL295483 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C28H26N2O7S/c1-15-10-18(7-9-22(15)34-2)26(31)19(11-16-12-23(35-3)27(37-5)24(13-16)36-4)25(28(32)33)17-6-8-20-21(14-17)30-38-29-20/h6-10,12-14H,11H2,1-5H3,(H,32,33)/p-1/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50051007 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010421 (BOC-Phe-beta-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H62N8O7/c1-7-25(2)35(38(53)44-24-29-23-43-26(3)45-36(29)41)48-34(51)22-32(49)30(20-27-14-10-8-11-15-27)46-33(50)18-19-42-37(52)31(21-28-16-12-9-13-17-28)47-39(54)55-40(4,5)6/h9,12-13,16-17,23,25,27,30-32,35,49H,7-8,10-11,14-15,18-22,24H2,1-6H3,(H,42,52)(H,44,53)(H,46,50)(H,47,54)(H,48,51)(H2,41,43,45)/t25-,30+,31+,32-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50368156 (CHEMBL1203096) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)N)C(=O)NCc1cnc(C)nc1N |r| Show InChI InChI=1S/C40H63N9O6/c1-6-25(2)36(39(55)45-24-29-23-44-26(3)46-37(29)41)49-34(52)21-32(50)30(19-27-13-9-7-10-14-27)47-33(51)17-18-43-38(54)31(20-28-15-11-8-12-16-28)48-35(53)22-40(4,5)42/h8,11-12,15-16,23,25,27,30-32,36,50H,6-7,9-10,13-14,17-22,24,42H2,1-5H3,(H,43,54)(H,45,55)(H,47,51)(H,48,53)(H,49,52)(H2,41,44,46)/t25-,30-,31+,32-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010426 (CHEMBL324588 | {3-[(3-{1-[(4-Amino-2-methyl-pyrimi...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H61N7O7S/c1-7-25(2)36(38(52)43-22-29-21-42-26(3)44-37(29)41)47-34(50)20-32(48)30(18-27-14-10-8-11-15-27)45-35(51)24-55-23-33(49)31(19-28-16-12-9-13-17-28)46-39(53)54-40(4,5)6/h9,12-13,16-17,21,25,27,30-32,36,48H,7-8,10-11,14-15,18-20,22-24H2,1-6H3,(H,43,52)(H,45,51)(H,46,53)(H,47,50)(H2,41,42,44)/t25-,30-,31-,32-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010433 (BOC-Phe-His-Leu-psi-[CHOHCH2]Val-Ile-His-OH | CHEM...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C44H67N9O9/c1-10-27(6)37(41(58)51-35(42(59)60)19-30-22-46-24-48-30)53-38(55)31(26(4)5)20-36(54)32(16-25(2)3)49-40(57)34(18-29-21-45-23-47-29)50-39(56)33(17-28-14-12-11-13-15-28)52-43(61)62-44(7,8)9/h11-15,21-27,31-37,54H,10,16-20H2,1-9H3,(H,45,47)(H,46,48)(H,49,57)(H,50,56)(H,51,58)(H,52,61)(H,53,55)(H,59,60)/t27-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50040384 ((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010427 (BOC-Phe-Gly-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrim...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C39H60N8O7/c1-7-24(2)34(37(52)42-22-28-21-41-25(3)44-35(28)40)47-32(49)20-31(48)29(18-26-14-10-8-11-15-26)45-33(50)23-43-36(51)30(19-27-16-12-9-13-17-27)46-38(53)54-39(4,5)6/h9,12-13,16-17,21,24,26,29-31,34,48H,7-8,10-11,14-15,18-20,22-23H2,1-6H3,(H,42,52)(H,43,51)(H,45,50)(H,46,53)(H,47,49)(H2,40,41,44)/t24-,29+,30+,31-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50002969 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	5.5	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50040390 ((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...) Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1)C(C)C Show InChI InChI=1S/C31H55N2O6P/c1-7-9-18-29(39-40(37,38)20-14-17-25-15-12-11-13-16-25)31(36)33-27(21-23(3)4)28(34)22-26(24(5)6)30(35)32-19-10-8-2/h11-13,15-16,23-24,26-29,34H,7-10,14,17-22H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/t26-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010432 (BOC-Phe-Gly-ACHPA-Ile N-(3-Pyridylmethyl)amide | C...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 Show InChI InChI=1S/C39H58N6O7/c1-6-26(2)35(37(50)41-24-29-18-13-19-40-23-29)45-33(47)22-32(46)30(20-27-14-9-7-10-15-27)43-34(48)25-42-36(49)31(21-28-16-11-8-12-17-28)44-38(51)52-39(3,4)5/h8,11-13,16-19,23,26-27,30-32,35,46H,6-7,9-10,14-15,20-22,24-25H2,1-5H3,(H,41,50)(H,42,49)(H,43,48)(H,44,51)(H,45,47)/t26-,30+,31+,32-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010429 (CHEMBL323967 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1 Show InChI InChI=1S/C43H56N8O7/c1-6-28(2)38(41(56)46-25-31-18-13-19-44-24-31)51-37(53)23-36(52)33(20-29-14-9-7-10-15-29)48-40(55)35(22-32-26-45-27-47-32)49-39(54)34(21-30-16-11-8-12-17-30)50-42(57)58-43(3,4)5/h7-19,24,26-28,33-36,38,52H,6,20-23,25H2,1-5H3,(H,45,47)(H,46,56)(H,48,55)(H,49,54)(H,50,57)(H,51,53)/t28-,33-,34-,35-,36-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070882 ((Z)-2-Benzo[1,2,5]thiadiazol-5-yl-4-(2-fluoro-4-me...) Show SMILES COc1ccc(C(=O)C(\Cc2cc(OC)c(OC)c(OC)c2)=C(/C([O-])=O)c2ccc3nsnc3c2)c(F)c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-16-6-7-17(19(28)13-16)25(31)18(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-8-20-21(12-15)30-38-29-20/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070877 (CHEMBL262000 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc2OCCc2c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C26H20N2O5S/c1-32-19-6-3-16(4-7-19)25(29)20(13-15-2-9-23-17(12-15)10-11-33-23)24(26(30)31)18-5-8-21-22(14-18)28-34-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,30,31)/p-1/b24-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070890 (CHEMBL51890 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-9-6-16(7-10-18)24(28)20(13-15-4-3-5-19(12-15)32-2)23(25(29)30)17-8-11-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070871 (CHEMBL431160 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1OC)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O5S/c1-31-18-10-7-15(8-11-18)24(28)19(13-16-5-3-4-6-22(16)32-2)23(25(29)30)17-9-12-20-21(14-17)27-33-26-20/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin receptor type B (Homo sapiens (Human))	BDBM50075421 (7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...) Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070873 (CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50040388 ((3-Phenyl-propyl)-phosphonic acid mono-[(R)-1-((1S...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)OP(O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010417 (BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C41H66N8O7/c1-11-26(6)35(39(54)45-23-29-22-44-27(7)46-36(29)42)49-37(52)30(25(4)5)21-33(50)31(19-24(2)3)47-34(51)17-18-43-38(53)32(20-28-15-13-12-14-16-28)48-40(55)56-41(8,9)10/h12-16,22,24-26,30-33,35,50H,11,17-21,23H2,1-10H3,(H,43,53)(H,45,54)(H,47,51)(H,48,55)(H,49,52)(H2,42,44,46)/t26-,30-,31-,32-,33-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50040383 ((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1S...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)OP(O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C31H53N2O6P/c1-4-6-20-32-30(35)24(3)22-28(34)27(23-26-17-11-8-12-18-26)33-31(36)29(14-5-2)39-40(37,38)21-13-19-25-15-9-7-10-16-25/h7,9-10,15-16,24,26-29,34H,4-6,8,11-14,17-23H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)/t24-,27+,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010413 (CHEMBL324624 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H63N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-33,36,48-49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,32-,33-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50368157 (CHEMBL1203095) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1cnc(C)nc1N |r| Show InChI InChI=1S/C41H65N9O6/c1-4-27(2)38(41(56)46-26-31-25-45-28(3)47-39(31)43)50-37(54)24-34(51)32(22-29-14-8-5-9-15-29)48-36(53)19-21-44-40(55)33(23-30-16-10-6-11-17-30)49-35(52)18-12-7-13-20-42/h6,10-11,16-17,25,27,29,32-34,38,51H,4-5,7-9,12-15,18-24,26,42H2,1-3H3,(H,44,55)(H,46,56)(H,48,53)(H,49,52)(H,50,54)(H2,43,45,47)/t27-,32-,33-,34-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070892 (CHEMBL299572 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cccc(c1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H24N2O7S/c1-33-18-7-5-6-17(13-18)25(30)19(10-15-11-22(34-2)26(36-4)23(12-15)35-3)24(27(31)32)16-8-9-20-21(14-16)29-37-28-20/h5-9,11-14H,10H2,1-4H3,(H,31,32)/p-1/b24-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50368155 (CHEMBL1203094) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN(C)C)C(=O)NCc1cnc(C)nc1N |r| Show InChI InChI=1S/C42H67N9O6/c1-7-27(2)38(42(57)46-26-32-25-44-29(4)47-39(32)43)50-37(54)23-35(52)33(21-30-15-10-8-11-16-30)49-40(55)28(3)24-45-41(56)34(22-31-17-12-9-13-18-31)48-36(53)19-14-20-51(5)6/h9,12-13,17-18,25,27-28,30,33-35,38,52H,7-8,10-11,14-16,19-24,26H2,1-6H3,(H,45,56)(H,46,57)(H,48,53)(H,49,55)(H,50,54)(H2,43,44,47)/t27-,28+,33-,34-,35-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50040382 ((3-Phenyl-propyl)-phosphonic acid mono-[(S)-1-((1R...) Show SMILES CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)OP(O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C32H55N2O6P/c1-4-6-20-30(40-41(38,39)22-14-19-26-15-10-8-11-16-26)32(37)34-28(24-27-17-12-9-13-18-27)29(35)23-25(3)31(36)33-21-7-5-2/h8,10-11,15-16,25,27-30,35H,4-7,9,12-14,17-24H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)/t25-,28+,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibition of human renin.				J Med Chem 37: 486-97 (1994) BindingDB Entry DOI: 10.7270/Q2MW2HTW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50002985 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nccs1 Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	5.5	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010428 (BOC-Phe-psi[COCH2]Gly-Leu-psi-[CHOHCH2]Val-Ile N-[...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C41H65N7O7/c1-11-26(6)36(39(53)44-23-29-22-43-27(7)45-37(29)42)48-38(52)30(25(4)5)21-34(50)31(19-24(2)3)46-35(51)18-17-33(49)32(20-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,22,24-26,30-32,34,36,50H,11,17-21,23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,34-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010412 (BOC-Phe-psi[COCH2S]Gly-Leu-psi-[CHOHCH2]Val-Ile N-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C41H65N7O7S/c1-11-26(6)36(39(53)44-21-29-20-43-27(7)45-37(29)42)48-38(52)30(25(4)5)19-33(49)31(17-24(2)3)46-35(51)23-56-22-34(50)32(18-28-15-13-12-14-16-28)47-40(54)55-41(8,9)10/h12-16,20,24-26,30-33,36,49H,11,17-19,21-23H2,1-10H3,(H,44,53)(H,46,51)(H,47,54)(H,48,52)(H2,42,43,45)/t26-,30-,31-,32-,33-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010425 (BOC-Phe-Gly-Leu-psi[CHOHCH2]Gly-Ile N-[(4-amino-2-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(38(53)43-21-28-20-42-26(7)45-35(28)41)48-36(51)29(24(4)5)19-32(49)30(17-23(2)3)46-33(50)22-44-37(52)31(18-27-15-13-12-14-16-27)47-39(54)55-40(8,9)10/h12-16,20,23-25,29-32,34,49H,11,17-19,21-22H2,1-10H3,(H,43,53)(H,44,52)(H,46,50)(H,47,54)(H,48,51)(H2,41,42,45)/t25-,29-,30-,31-,32-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010409 (CHEMBL112091 | {3-[(3-{1-[(4-Amino-2-methyl-pyrimi...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H63N7O7S/c1-7-25(2)36(38(52)43-22-29-21-42-26(3)44-37(29)41)47-34(50)20-32(48)30(18-27-14-10-8-11-15-27)45-35(51)24-55-23-33(49)31(19-28-16-12-9-13-17-28)46-39(53)54-40(4,5)6/h9,12-13,16-17,21,25,27,30-33,36,48-49H,7-8,10-11,14-15,18-20,22-24H2,1-6H3,(H,43,52)(H,45,51)(H,46,53)(H,47,50)(H2,41,42,44)/t25-,30-,31-,32-,33+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010405 (CHEMBL113593 | {3-[(3-{1-[(4-Amino-2-methyl-pyrimi...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C40H63N7O7S/c1-7-25(2)36(38(52)43-22-29-21-42-26(3)44-37(29)41)47-34(50)20-32(48)30(18-27-14-10-8-11-15-27)45-35(51)24-55-23-33(49)31(19-28-16-12-9-13-17-28)46-39(53)54-40(4,5)6/h9,12-13,16-17,21,25,27,30-33,36,48-49H,7-8,10-11,14-15,18-20,22-24H2,1-6H3,(H,43,52)(H,45,51)(H,46,53)(H,47,50)(H2,41,42,44)/t25-,30-,31-,32-,33-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50070876 (CHEMBL299328 | Sodium; (Z)-4-benzo[1,3]dioxol-5-yl...) Show SMILES COc1cc(C\C(C(=O)c2ccc3OCOc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C27H22N2O8S/c1-33-22-9-14(10-23(34-2)26(22)35-3)8-17(25(30)16-5-7-20-21(12-16)37-13-36-20)24(27(31)32)15-4-6-18-19(11-15)29-38-28-18/h4-7,9-12H,8,13H2,1-3H3,(H,31,32)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50057155 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50010406 (CHEMBL325329 | [4-(trimethylammonio)butyryl]-Phe-b...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[N+](C)(C)C)C(=O)NCc1cnc(C)nc1N Show InChI InChI=1S/C42H67N9O6/c1-7-28(2)39(42(57)46-27-32-26-45-29(3)47-40(32)43)50-38(55)25-35(52)33(23-30-15-10-8-11-16-30)48-37(54)20-21-44-41(56)34(24-31-17-12-9-13-18-31)49-36(53)19-14-22-51(4,5)6/h9,12-13,17-18,26,28,30,33-35,39,52H,7-8,10-11,14-16,19-25,27H2,1-6H3,(H6-,43,44,45,46,47,48,49,50,53,54,55,56,57)/p+1/t28-,33-,34-,35-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro for inhibitory activity against human renin				J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 438 total )  |  Next  |  Last  >>

Jump to: