Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'menard' and Initial = 'pr'   

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
Prothrombin (Homo sapiens (Human))	BDBM50037996 (1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...) Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50079881 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=[NH2+])C(O)=O Show InChI InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor Xa				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079882 (1-[(R)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-...) Show SMILES C[C@H]1CNc2cc(ccc2C1)S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCCCC1C(O)=O Show InChI InChI=1S/C22H34N6O5S/c1-14-11-15-7-8-16(12-18(15)26-13-14)34(32,33)27-17(5-4-9-25-22(23)24)20(29)28-10-3-2-6-19(28)21(30)31/h7-8,12,14,17,19,26-27H,2-6,9-11,13H2,1H3,(H,30,31)(H4,23,24,25)/p+1/t14-,17-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070632 (4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-...) Show SMILES O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1 Show InChI InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50080477 (3-[(S)-3-(Naphthalene-2-sulfonylamino)-2-oxo-pyrro...) Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1 Show InChI InChI=1S/C22H22N4O3S/c23-21(24)18-7-3-4-15(12-18)14-26-11-10-20(22(26)27)25-30(28,29)19-9-8-16-5-1-2-6-17(16)13-19/h1-9,12-13,20,25H,10-11,14H2,(H3,23,24)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor Xa				J Med Chem 42: 3251-64 (1999) Article DOI: 10.1021/jm9806998 BindingDB Entry DOI: 10.7270/Q2CF9QSX
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020840 (CHEMBL113276 | [Cyclopentyl-(2-mercapto-3-methoxy-...) Show SMILES COc1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C15H19NO4S/c1-20-12-8-4-7-11(14(12)21)15(19)16(9-13(17)18)10-5-2-3-6-10/h4,7-8,10,21H,2-3,5-6,9H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020833 (CHEMBL326137 | [(3-Chloro-2-mercapto-benzoyl)-cycl...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(Cl)c1S Show InChI InChI=1S/C14H16ClNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020829 (CHEMBL114242 | [(2-Acetylsulfanyl-3-fluoro-benzoyl...) Show SMILES CC(=O)Sc1c(F)cccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H18FNO4S/c1-10(19)23-15-12(7-4-8-13(15)17)16(22)18(9-14(20)21)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020824 (CHEMBL325659 | [Cyclopentyl-(3-fluoro-2-mercapto-b...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(F)c1S Show InChI InChI=1S/C14H16FNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020830 (CHEMBL263056 | [Cyclopentyl-(2-mercapto-3-trifluor...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(c1S)C(F)(F)F Show InChI InChI=1S/C15H16F3NO3S/c16-15(17,18)11-7-3-6-10(13(11)23)14(22)19(8-12(20)21)9-4-1-2-5-9/h3,6-7,9,23H,1-2,4-5,8H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020831 (CHEMBL113315 | [(2-Acetylsulfanyl-3-methyl-benzoyl...) Show SMILES CC(=O)Sc1c(C)cccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C17H21NO4S/c1-11-6-5-9-14(16(11)23-12(2)19)17(22)18(10-15(20)21)13-7-3-4-8-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020842 (CHEMBL114294 | [Cyclopentyl-(3,5-dichloro-2-mercap...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1S Show InChI InChI=1S/C14H15Cl2NO3S/c15-8-5-10(13(21)11(16)6-8)14(20)17(7-12(18)19)9-3-1-2-4-9/h5-6,9,21H,1-4,7H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020841 (CHEMBL324242 | [Cyclopentyl-(2-mercapto-3-methyl-b...) Show SMILES Cc1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C15H19NO3S/c1-10-5-4-8-12(14(10)20)15(19)16(9-13(17)18)11-6-2-3-7-11/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020825 (CHEMBL112168 | [Cyclopentyl-(2-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1S Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(10-5-1-2-6-10)14(18)11-7-3-4-8-12(11)19/h3-4,7-8,10,19H,1-2,5-6,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020823 (CHEMBL112477 | [(2-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1ccccc1C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-9-5-4-8-13(14)16(21)17(10-15(19)20)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020821 (CHEMBL113612 | [Cyclopentyl-(4-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccc(S)cc1 Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(11-3-1-2-4-11)14(18)10-5-7-12(19)8-6-10/h5-8,11,19H,1-4,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020832 (CHEMBL112589 | [(4-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1ccc(cc1)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-8-6-12(7-9-14)16(21)17(10-15(19)20)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020827 (CHEMBL324898 | [Cyclopentyl-(3-mercapto-benzoyl)-a...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cccc(S)c1 Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(11-5-1-2-6-11)14(18)10-4-3-7-12(19)8-10/h3-4,7-8,11,19H,1-2,5-6,9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020838 (CHEMBL323879 | [(3-Acetylsulfanyl-benzoyl)-cyclope...) Show SMILES CC(=O)Sc1cccc(c1)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C16H19NO4S/c1-11(18)22-14-8-4-5-12(9-14)16(21)17(10-15(19)20)13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020820 (CHEMBL112922 | [(5-Chloro-2-mercapto-benzoyl)-cycl...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)ccc1S Show InChI InChI=1S/C14H16ClNO3S/c15-9-5-6-12(20)11(7-9)14(19)16(8-13(17)18)10-3-1-2-4-10/h5-7,10,20H,1-4,8H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020839 (CHEMBL324703 | [Cyclopentyl-(2-nitro-benzoyl)-amin...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C14H16N2O5/c17-13(18)9-15(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)16(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020837 (CHEMBL114018 | [(2-Acetoxy-3,5-dichloro-benzoyl)-c...) Show SMILES CCOC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1OC(C)=O Show InChI InChI=1S/C18H21Cl2NO5/c1-3-25-16(23)10-21(13-6-4-5-7-13)18(24)14-8-12(19)9-15(20)17(14)26-11(2)22/h8-9,13H,3-7,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020828 (CHEMBL324676 | [Cyclopentyl-(3,5-dichloro-2-hydrox...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C14H15Cl2NO4/c15-8-5-10(13(20)11(16)6-8)14(21)17(7-12(18)19)9-3-1-2-4-9/h5-6,9,20H,1-4,7H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020836 (CHEMBL115153 | N-Carboxymethyl-N-cyclopentyl-phtha...) Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C15H17NO5/c17-13(18)9-16(10-5-1-2-6-10)14(19)11-7-3-4-8-12(11)15(20)21/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020834 (CHEMBL325305 | [Cyclopentyl-(3-isopropyl-2-mercapt...) Show SMILES CC(C)c1cccc(C(=O)N(CC(O)=O)C2CCCC2)c1S Show InChI InChI=1S/C17H23NO3S/c1-11(2)13-8-5-9-14(16(13)22)17(21)18(10-15(19)20)12-6-3-4-7-12/h5,8-9,11-12,22H,3-4,6-7,10H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 328-32 (1985) BindingDB Entry DOI: 10.7270/Q2DN45MJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015471 (1-[2-(1-Carboxy-3-phenyl-propylamino)-6-(4-chloro-...) Show SMILES Cl.NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C28H35ClN4O8S.ClH/c29-20-13-12-19(17-24(20)42(30,40)41)25(34)31-15-5-4-9-21(26(35)33-16-6-10-23(33)28(38)39)32-22(27(36)37)14-11-18-7-2-1-3-8-18;/h1-3,7-8,12-13,17,21-23,32H,4-6,9-11,14-16H2,(H,31,34)(H,36,37)(H,38,39)(H2,30,40,41);1H/t21-,22-,23-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013611 (4-(4-Amino-2-chloro-5-sulfamoyl-benzenesulfonylami...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NS(=O)(=O)c1cc(c(N)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C24H30ClN5O9S2/c1-13(28-18(23(32)33)8-7-14-5-3-2-4-6-14)22(31)30-12-15(9-19(30)24(34)35)29-41(38,39)20-11-21(40(27,36)37)17(26)10-16(20)25/h2-6,10-11,13,15,18-19,28-29H,7-9,12,26H2,1H3,(H,32,33)(H,34,35)(H2,27,36,37)/t13-,15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015473 (2-[1-(Carboxymethyl-indan-2-yl-carbamoyl)-5-(4-chl...) Show SMILES Cl.NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC(O)=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C34H39ClN4O8S.ClH/c35-27-15-14-25(20-30(27)48(36,46)47)32(42)37-17-7-6-12-28(38-29(34(44)45)16-13-22-8-2-1-3-9-22)33(43)39(21-31(40)41)26-18-23-10-4-5-11-24(23)19-26;/h1-5,8-11,14-15,20,26,28-29,38H,6-7,12-13,16-19,21H2,(H,37,42)(H,40,41)(H,44,45)(H2,36,46,47);1H/t28-,29-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013613 (3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-2...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CSC1c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C23H26ClN3O7S2/c1-13(26-17(22(29)30)10-7-14-5-3-2-4-6-14)20(28)27-18(23(31)32)12-35-21(27)15-8-9-16(24)19(11-15)36(25,33)34/h2-6,8-9,11,13,17-18,21,26H,7,10,12H2,1H3,(H,29,30)(H,31,32)(H2,25,33,34)/t13-,17-,18-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013616 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...) Show SMILES Cl.Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC(C[C@H]1C(O)=O)N(C)CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O Show InChI InChI=1S/C28H37ClN6O9S2.2ClH/c1-16(31-20(27(37)38)9-8-17-6-4-3-5-7-17)26(36)35-15-18(12-22(35)28(39)40)34(2)11-10-25-32-21-13-19(29)23(45(30,41)42)14-24(21)46(43,44)33-25;;/h3-7,13-14,16,18,20,22,25,31-33H,8-12,15H2,1-2H3,(H,37,38)(H,39,40)(H2,30,41,42);2*1H/t16-,18?,20-,22-,25?;;/m0../s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013609 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@@H](C[C@H]1C(O)=O)OCCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O Show InChI InChI=1S/C27H34ClN5O10S2/c1-15(30-19(26(35)36)8-7-16-5-3-2-4-6-16)25(34)33-14-17(11-21(33)27(37)38)43-10-9-24-31-20-12-18(28)22(44(29,39)40)13-23(20)45(41,42)32-24/h2-6,12-13,15,17,19,21,24,30-32H,7-11,14H2,1H3,(H,35,36)(H,37,38)(H2,29,39,40)/t15-,17+,19-,21-,24?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme(ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013608 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:39| Show InChI InChI=1S/C25H28ClN5O9S2/c1-14(29-18(24(33)34)8-7-15-5-3-2-4-6-15)23(32)31-12-16(9-20(31)25(35)36)30-42(39,40)21-11-22-19(10-17(21)26)27-13-28-41(22,37)38/h2-6,10-11,13-14,16,18,20,29-30H,7-9,12H2,1H3,(H,27,28)(H,33,34)(H,35,36)/t14-,16-,18-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013615 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC(C[C@H]1C(O)=O)NNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C25H30ClN5O8S/c1-14(28-19(24(34)35)10-7-15-5-3-2-4-6-15)23(33)31-13-17(12-20(31)25(36)37)29-30-22(32)16-8-9-18(26)21(11-16)40(27,38)39/h2-6,8-9,11,14,17,19-20,28-29H,7,10,12-13H2,1H3,(H,30,32)(H,34,35)(H,36,37)(H2,27,38,39)/t14-,17?,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021340 (CHEMBL166743 | [(2-Mercapto-propionyl)-p-tolyl-ami...) Show SMILES CC(S)C(=O)N(CC(O)=O)c1ccc(C)cc1 Show InChI InChI=1S/C12H15NO3S/c1-8-3-5-10(6-4-8)13(7-11(14)15)12(16)9(2)17/h3-6,9,17H,7H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015477 (2-[1-(Carboxymethyl-indan-2-yl-carbamoyl)-5-(4-chl...) Show SMILES Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N(CC(O)=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H43ClN4O8S.ClH/c1-2-49-36(46)31(18-15-24-10-4-3-5-11-24)40-30(35(45)41(23-33(42)43)28-20-25-12-6-7-13-26(25)21-28)14-8-9-19-39-34(44)27-16-17-29(37)32(22-27)50(38,47)48;/h3-7,10-13,16-17,22,28,30-31,40H,2,8-9,14-15,18-21,23H2,1H3,(H,39,44)(H,42,43)(H2,38,47,48);1H/t30-,31-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021332 (CHEMBL165952 | [Cyclopentyl-(2-mercapto-propionyl)...) Show SMILES CC(S)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C10H17NO3S/c1-7(15)10(14)11(6-9(12)13)8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50013614 (1'-[N(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl]-5'-c...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)Nc1cc(Cl)c(cc1S(=O)(=O)N2)S(N)(=O)=O Show InChI InChI=1S/C24H28ClN5O9S2/c1-13(27-16(22(32)33)8-7-14-5-3-2-4-6-14)21(31)30-12-24(11-18(30)23(34)35)28-17-9-15(25)19(40(26,36)37)10-20(17)41(38,39)29-24/h2-6,9-10,13,16,18,27-29H,7-8,11-12H2,1H3,(H,32,33)(H,34,35)(H2,26,36,37)/t13-,16-,18-,24?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021338 (3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic...) Show SMILES CC(S)C(=O)N1CSC[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO3S2/c1-4(12)6(9)8-3-13-2-5(8)7(10)11/h4-5,12H,2-3H2,1H3,(H,10,11)/t4?,5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of activity of rabbit lung Angiotensin I converting enzyme at pH 8.5; 0.14-10				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021338 (3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic...) Show SMILES CC(S)C(=O)N1CSC[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO3S2/c1-4(12)6(9)8-3-13-2-5(8)7(10)11/h4-5,12H,2-3H2,1H3,(H,10,11)/t4?,5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50368115 (CHEMBL1202592) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC(O)=O)Cc1cc(cc(I)c1O)C(C)(C)C |r| Show InChI InChI=1S/C26H33IN2O6/c1-16(28-21(25(34)35)11-10-17-8-6-5-7-9-17)24(33)29(15-22(30)31)14-18-12-19(26(2,3)4)13-20(27)23(18)32/h5-9,12-13,16,21,28,32H,10-11,14-15H2,1-4H3,(H,30,31)(H,34,35)/t16-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme(ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021336 (CHEMBL355163 | [(2-Acetylsulfanyl-propionyl)-p-tol...) Show SMILES CC(SC(C)=O)C(=O)N(CC(O)=O)c1ccc(C)cc1 Show InChI InChI=1S/C14H17NO4S/c1-9-4-6-12(7-5-9)15(8-13(17)18)14(19)10(2)20-11(3)16/h4-7,10H,8H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015476 (2-{5-Amino-1-[carboxymethyl-(6-chloro-1,1-dioxo-7-...) Show SMILES Cl.NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O)CC(O)=O Show InChI InChI=1S/C26H35ClN6O9S2.ClH/c27-17-12-20-22(13-21(17)43(29,39)40)44(41,42)32-23(31-20)14-33(15-24(34)35)25(36)18(8-4-5-11-28)30-19(26(37)38)10-9-16-6-2-1-3-7-16;/h1-3,6-7,12-13,18-19,23,30-32H,4-5,8-11,14-15,28H2,(H,34,35)(H,37,38)(H2,29,39,40);1H/t18-,19-,23?;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme(ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015483 (2-(1-{Carboxymethyl-[3-(6-chloro-1,1-dioxo-7-sulfa...) Show SMILES Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CCCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O)CC(O)=O Show InChI InChI=1S/C25H32ClN5O9S2.ClH/c1-15(28-18(25(35)36)10-9-16-6-3-2-4-7-16)24(34)31(14-23(32)33)11-5-8-22-29-19-12-17(26)20(41(27,37)38)13-21(19)42(39,40)30-22;/h2-4,6-7,12-13,15,18,22,28-30H,5,8-11,14H2,1H3,(H,32,33)(H,35,36)(H2,27,37,38);1H/t15-,18-,22?;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme(ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015484 (2-{5-Benzyloxycarbonylamino-1-[carboxymethyl-(6-ch...) Show SMILES NS(=O)(=O)c1cc2c(NC(CN(CC(O)=O)C(=O)[C@H](CCCCNC(=O)OCc3ccccc3)N[C@@H](CCc3ccccc3)C(O)=O)NS2(=O)=O)cc1Cl Show InChI InChI=1S/C34H41ClN6O11S2/c35-24-17-27-29(18-28(24)53(36,48)49)54(50,51)40-30(39-27)19-41(20-31(42)43)32(44)25(38-26(33(45)46)15-14-22-9-3-1-4-10-22)13-7-8-16-37-34(47)52-21-23-11-5-2-6-12-23/h1-6,9-12,17-18,25-26,30,38-40H,7-8,13-16,19-21H2,(H,37,47)(H,42,43)(H,45,46)(H2,36,48,49)/t25-,26-,30?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE)				J Med Chem 33: 1600-6 (1990) BindingDB Entry DOI: 10.7270/Q2H41S2F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021333 (CHEMBL167651 | [(2-Acetylsulfanyl-propionyl)-cyclo...) Show SMILES CC(SC(C)=O)C(=O)N(CC(O)=O)C1CCCC1 Show InChI InChI=1S/C12H19NO4S/c1-8(18-9(2)14)12(17)13(7-11(15)16)10-5-3-4-6-10/h8,10H,3-7H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair

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