Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'sieber-mcmaster' and Initial = 'e'   

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 B (RAT)	BDBM50449917 (BMS-180560 | CHEMBL2021417) Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449914 (CHEMBL2079784) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(C)OC(C)=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C28H27ClN7O4.K/c1-4-5-13-24-30-26(29)25(28(38)40-18(3)39-17(2)37)36(24)16-19-9-8-12-22-20(19)14-15-35(22)23-11-7-6-10-21(23)27-31-33-34-32-27;/h6-12,14-15,18H,4-5,13,16H2,1-3H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50366331 (CHEMBL1790055) Show SMILES CCCCc1nc(Cl)c(C[O-])n1Cc1cccc2n(ccc12)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23ClN7O/c1-2-3-11-22-26-23(25)21(15-33)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24/h4-10,12-13H,2-3,11,14-15H2,1H3,(H,27,28,29,30)/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449919 (CHEMBL2021415) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OCC(=O)N(CC)CC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C30H32ClN8O3.K/c1-4-7-15-25-32-28(31)27(30(41)42-19-26(40)37(5-2)6-3)39(25)18-20-11-10-14-23-21(20)16-17-38(23)24-13-9-8-12-22(24)29-33-35-36-34-29;/h8-14,16-17H,4-7,15,18-19H2,1-3H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449910 (CHEMBL2079782) Show SMILES [K+].CCCCOC(=O)c1c(Cl)nc(CCCC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C28H29ClN7O2.K/c1-3-5-14-24-30-26(29)25(28(37)38-17-6-4-2)36(24)18-19-10-9-13-22-20(19)15-16-35(22)23-12-8-7-11-21(23)27-31-33-34-32-27;/h7-13,15-16H,3-6,14,17-18H2,1-2H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449912 (CHEMBL2079781) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C33H37ClN7O4.K/c1-7-8-16-26-35-28(34)27(30(42)44-31(20(2)3)45-32(43)33(4,5)6)41(26)19-21-12-11-15-24-22(21)17-18-40(24)25-14-10-9-13-23(25)29-36-38-39-37-29;/h9-15,17-18,20,31H,7-8,16,19H2,1-6H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449909 (CHEMBL2079769) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)C(C)C)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C32H35ClN7O4.K/c1-6-7-15-26-34-28(33)27(31(42)44-32(20(4)5)43-30(41)19(2)3)40(26)18-21-11-10-14-24-22(21)16-17-39(24)25-13-9-8-12-23(25)29-35-37-38-36-29;/h8-14,16-17,19-20,32H,6-7,15,18H2,1-5H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449918 (BMS-181688 | CHEMBL2021416) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C26H25ClN7O2.K/c1-3-5-13-22-28-24(27)23(26(35)36-4-2)34(22)16-17-9-8-12-20-18(17)14-15-33(20)21-11-7-6-10-19(21)25-29-31-32-30-25;/h6-12,14-15H,3-5,13,16H2,1-2H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449920 (CHEMBL2079768) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)CC)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C31H33ClN7O4.K/c1-5-7-15-25-33-28(32)27(30(41)43-31(19(3)4)42-26(40)6-2)39(25)18-20-11-10-14-23-21(20)16-17-38(23)24-13-9-8-12-22(24)29-34-36-37-35-29;/h8-14,16-17,19,31H,5-7,15,18H2,1-4H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449911 (CHEMBL2079770) Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)Oc2ccc3CCCc3c2)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C33H29ClN7O2.K/c1-2-3-14-29-35-31(34)30(33(42)43-24-16-15-21-8-6-9-22(21)19-24)41(29)20-23-10-7-13-27-25(23)17-18-40(27)28-12-5-4-11-26(28)32-36-38-39-37-32;/h4-5,7,10-13,15-19H,2-3,6,8-9,14,20H2,1H3;/q-1;+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50282240 (CHEMBL288691 | Lithium; 2-[4-(2-butyl-5-hydroxymet...) Show SMILES CCCCc1ncc(CO)n1Cc1cccc2n(ccc12)-c1ccccc1C([O-])=O Show InChI InChI=1S/C24H25N3O3/c1-2-3-11-23-25-14-18(16-28)27(23)15-17-7-6-10-21-19(17)12-13-26(21)22-9-5-4-8-20(22)24(29)30/h4-10,12-14,28H,2-3,11,15-16H2,1H3,(H,29,30)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449915 (CHEMBL2021419) Show SMILES [Na+].O[Na].CCCCc1nc(c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C25H22F3N7O2.2Na.H2O/c1-2-3-11-20-29-22(25(26,27)28)21(24(36)37)35(20)14-15-7-6-10-18-16(15)12-13-34(18)19-9-5-4-8-17(19)23-30-32-33-31-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,36,37)(H,30,31,32,33);;;1H2/q;2*+1;/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50282248 (CHEMBL287065 | Lithium; 2-[5-(2-butyl-5-hydroxymet...) Show SMILES CCCCc1ncc(CO)n1Cc1ccc2n(ccc2c1)-c1ccccc1C([O-])=O Show InChI InChI=1S/C24H25N3O3/c1-2-3-8-23-25-14-19(16-28)27(23)15-17-9-10-21-18(13-17)11-12-26(21)22-7-5-4-6-20(22)24(29)30/h4-7,9-14,28H,2-3,8,15-16H2,1H3,(H,29,30)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50449916 (CHEMBL2021418) Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(c(Br)c(Br)c12)-c1ccccc1-c1nn[nH]n1 |(16.45,-8.34,;18.81,-10.28,;20.35,-10.28,;2.91,-6.88,;4.05,-7.9,;5.51,-7.43,;6.65,-8.47,;8.11,-7.99,;8.6,-6.52,;10.13,-6.52,;11.04,-5.28,;10.62,-7.99,;12.08,-8.47,;13.22,-7.44,;12.38,-9.97,;9.36,-8.89,;10.46,-9.98,;10.46,-11.52,;9.11,-12.27,;9.09,-13.81,;10.43,-14.59,;11.78,-13.81,;13.29,-14.15,;14.12,-13.05,;15.59,-12.58,;13.24,-11.8,;13.71,-10.34,;11.78,-12.28,;13.33,-15.7,;12.01,-16.51,;12.06,-18.05,;13.4,-18.78,;14.7,-17.97,;14.66,-16.44,;15.98,-15.62,;16.1,-14.08,;17.58,-13.72,;18.4,-15.03,;17.4,-16.21,)| Show InChI InChI=1S/C24H20Br2ClN7O2.2Li.H2O/c1-2-3-11-17-28-22(27)20(24(35)36)33(17)12-13-7-6-10-16-18(13)19(25)21(26)34(16)15-9-5-4-8-14(15)23-29-31-32-30-23;;;/h4-10H,2-3,11-12H2,1H3,(H,35,36)(H,29,30,31,32);;;1H2/q;2*+1;/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50282244 (2-Butyl-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-indo...) Show SMILES CCCCc1ncc(C(O)=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7O2/c1-2-3-11-22-25-14-21(24(32)33)31(22)15-16-7-6-10-19-17(16)12-13-30(19)20-9-5-4-8-18(20)23-26-28-29-27-23/h4-10,12-14H,2-3,11,15H2,1H3,(H,32,33)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50282254 (CHEMBL36259 | Potassium; 2-[6-(2-butyl-4-chloro-5-...) Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc2nc(oc2c1)-c1ccccc1C([O-])=O Show InChI InChI=1S/C23H20ClN3O4/c1-2-3-8-20-26-21(24)18(13-28)27(20)12-14-9-10-17-19(11-14)31-22(25-17)15-6-4-5-7-16(15)23(29)30/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,29,30)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50449917 (BMS-180560 | CHEMBL2021417) Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Receptor binding affinity for Angiotensin II receptor, type 2 determined				Bioorg Med Chem Lett 4: 145-150 (1994) Article DOI: 10.1016/S0960-894X(01)81137-9 BindingDB Entry DOI: 10.7270/Q2V988KF
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50031845 ((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...) Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50049232 (CHEMBL348349 | Tetrasodium salt of 4-(4'-Methyl-bi...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/p-4/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282859 ((2S,4S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-pr...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C24H28N2O4S2/c1-16(25-22(27)18(15-31)12-17-8-4-2-5-9-17)23(28)26-14-20(13-21(26)24(29)30)32-19-10-6-3-7-11-19/h2-11,16,18,20-21,31H,12-15H2,1H3,(H,25,27)(H,29,30)/t16-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282855 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES CCC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-2-7-16(19(24)22-11-6-10-17(22)20(25)26)21-18(23)15(13-27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,23)(H,25,26)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282848 (1-{2-[(S)-3-(2-Chloro-phenyl)-2-mercaptomethyl-pro...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1Cl)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C18H23ClN2O4S/c1-11(17(23)21-8-4-7-15(21)18(24)25)20-16(22)13(10-26)9-12-5-2-3-6-14(12)19/h2-3,5-6,11,13,15,26H,4,7-10H2,1H3,(H,20,22)(H,24,25)/t11-,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282845 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C22H24N2O4S/c1-14(23-20(25)17(13-29)11-15-7-3-2-4-8-15)21(26)24-18-10-6-5-9-16(18)12-19(24)22(27)28/h2-10,14,17,19,29H,11-13H2,1H3,(H,23,25)(H,27,28)/t14-,17+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282851 ((S)-2-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)19(14-30)11-16-7-3-2-4-8-16)22(27)25-13-18-10-6-5-9-17(18)12-20(25)23(28)29/h2-10,15,19-20,30H,11-14H2,1H3,(H,24,26)(H,28,29)/t15-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50403268 (CHEMBL299875) Show SMILES CCCC[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C18H24N2O4S/c1-2-3-8-15(25)17(23)19-13-10-9-12-6-4-5-7-14(12)20(18(13)24)11-16(21)22/h4-7,13,15,25H,2-3,8-11H2,1H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50049227 (CHEMBL158707 | Trisodium salt of [1-(Dimethoxy-pho...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8-])=O)P([#8-])([#8-])=O Show InChI InChI=1S/C18H34O6P2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-3/b16-10+,17-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024101 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50048512 (CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Neutral Endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073118 (CHEMBL319237 | [(S)-8-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CCCC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O4S/c24-18(25)14-23-20(27)16(9-6-12-21(23)10-4-5-11-21)22-19(26)17(28)13-15-7-2-1-3-8-15/h1-3,7-8,16-17,28H,4-6,9-14H2,(H,22,26)(H,24,25)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282852 (1-[2-((S)-2-Mercaptomethyl-3-o-tolyl-propionylamin...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-12-6-3-4-7-14(12)10-15(11-26)17(22)20-13(2)18(23)21-9-5-8-16(21)19(24)25/h3-4,6-7,13,15-16,26H,5,8-11H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50403266 (CHEMBL415932) Show SMILES CC(C)C[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C18H24N2O4S/c1-11(2)9-15(25)17(23)19-13-8-7-12-5-3-4-6-14(12)20(18(13)24)10-16(21)22/h3-6,11,13,15,25H,7-10H2,1-2H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282847 ((2S,4S)-4-Cyclohexyl-1-[(S)-2-((S)-2-mercaptomethy...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1 Show InChI InChI=1S/C24H34N2O4S/c1-16(25-22(27)20(15-31)12-17-8-4-2-5-9-17)23(28)26-14-19(13-21(26)24(29)30)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-21,31H,3,6-7,10-15H2,1H3,(H,25,27)(H,29,30)/t16-,19+,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282862 ((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50403266 (CHEMBL415932) Show SMILES CC(C)C[C@H](S)C(=O)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C18H24N2O4S/c1-11(2)9-15(25)17(23)19-13-8-7-12-5-3-4-6-14(12)20(18(13)24)10-16(21)22/h3-6,11,13,15,25H,7-10H2,1-2H3,(H,19,23)(H,21,22)/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Neutral Endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282845 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C22H24N2O4S/c1-14(23-20(25)17(13-29)11-15-7-3-2-4-8-15)21(26)24-18-10-6-5-9-16(18)12-19(24)22(27)28/h2-10,14,17,19,29H,11-13H2,1H3,(H,23,25)(H,27,28)/t14-,17+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048506 (CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282859 ((2S,4S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-pr...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C24H28N2O4S2/c1-16(25-22(27)18(15-31)12-17-8-4-2-5-9-17)23(28)26-14-20(13-21(26)24(29)30)32-19-10-6-3-7-11-19/h2-11,16,18,20-21,31H,12-15H2,1H3,(H,25,27)(H,29,30)/t16-,18+,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282858 (3-((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-p...) Show SMILES OC(=O)CCNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C13H17NO3S/c15-12(16)6-7-14-13(17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,14,17)(H,15,16)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073121 (CHEMBL430484 | [(S)-6-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O4S/c22-16(23)12-21-18(25)14(7-4-8-19(21)9-10-19)20-17(24)15(26)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,26H,4,7-12H2,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282846 ((S)-1-[(S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptometh...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C26H29N3O4S/c30-24(19(16-34)13-17-7-2-1-3-8-17)28-22(25(31)29-12-6-11-23(29)26(32)33)14-18-15-27-21-10-5-4-9-20(18)21/h1-5,7-10,15,19,22-23,27,34H,6,11-14,16H2,(H,28,30)(H,32,33)/t19-,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282855 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES CCC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-2-7-16(19(24)22-11-6-10-17(22)20(25)26)21-18(23)15(13-27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,23)(H,25,26)/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50282849 (1-[2-(2-Mercaptomethyl-4-methyl-pentanoylamino)-pr...) Show SMILES CC(C)CC(CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C15H26N2O4S/c1-9(2)7-11(8-22)13(18)16-10(3)14(19)17-6-4-5-12(17)15(20)21/h9-12,22H,4-8H2,1-3H3,(H,16,18)(H,20,21)/t10-,11?,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073119 (CHEMBL107747 | Gemopatrilat | [(S)-6-((S)-2-Mercap...) Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50048512 (CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50049217 (CHEMBL158517 | Tripotassium salt of 1-Phosphono-4-...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)-c1ccccn1)S([O-])(=O)=O Show InChI InChI=1S/C21H22NO6PS/c23-29(24,25)21(30(26,27)28)6-3-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-1-2-15-22-20/h1-2,5,7-15,21H,3-4,6H2,(H2,23,24,25)(H,26,27,28)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50403267 (CHEMBL422944) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Neutral Endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair

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