Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'barton' and Initial = 'jn'   

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
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 (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)	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)	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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50015482 (2-(5-{Benzyl-[2-(1-carboxy-3-phenyl-propylamino)-p...) Show SMILES Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(Cc1ccccc1)[C@H](CCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C33H39ClN4O9S.ClH/c1-21(37-26(32(42)43)16-15-22-10-4-2-5-11-22)30(39)38(20-23-12-6-3-7-13-23)28(33(44)45)14-8-9-17-36-27-19-25(34)29(48(35,46)47)18-24(27)31(40)41;/h2-7,10-13,18-19,21,26,28,36-37H,8-9,14-17,20H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H2,35,46,47);1H/t21-,26-,28+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	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)	BDBM50421739 (CHEMBL2110192) Show SMILES C[C@H](SC(C)=O)C(=O)N1CSC[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO4S2/c1-5(16-6(2)11)8(12)10-4-15-3-7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,13,14)/t5-,7-/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	1.70E+3	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)	BDBM50020805 ((2-Mercapto-propionylamino)-acetic acid | CHEMBL13...) Show SMILES CC(S)C(=O)NCC(O)=O Show InChI InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.90E+3	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)	BDBM50015474 (3-(2-{Carboxymethyl-[2-(1-carboxy-3-phenyl-propyla...) Show SMILES Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC(O)=O)CC(=O)Nc1cc(cc(c1Cl)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C24H27ClN4O10S.ClH/c1-13(27-16(24(36)37)8-7-14-5-3-2-4-6-14)22(33)29(12-20(31)32)11-19(30)28-17-9-15(23(34)35)10-18(21(17)25)40(26,38)39;/h2-6,9-10,13,16,27H,7-8,11-12H2,1H3,(H,28,30)(H,31,32)(H,34,35)(H,36,37)(H2,26,38,39);1H/t13-,16-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.20E+3	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)	BDBM50015469 (4-(5-{Benzyl-[2-(1-carboxy-3-phenyl-propylamino)-p...) Show SMILES Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(Cc1ccccc1)[C@H](CCCCNc1cc(Cl)c(cc1S(N)(=O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H39ClN4O9S.ClH/c1-21(37-26(32(42)43)16-15-22-10-4-2-5-11-22)30(39)38(20-23-12-6-3-7-13-23)28(33(44)45)14-8-9-17-36-27-19-25(34)24(31(40)41)18-29(27)48(35,46)47;/h2-7,10-13,18-19,21,26,28,36-37H,8-9,14-17,20H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H2,35,46,47);1H/t21-,26-,28+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	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)	BDBM50015467 (2-(1-{Carboxymethyl-[1-(6-chloro-1,1-dioxo-7-sulfa...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC(O)=O)[C@H](C)C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O Show InChI InChI=1S/C24H30ClN5O9S2/c1-13(27-17(24(34)35)9-8-15-6-4-3-5-7-15)23(33)30(12-21(31)32)14(2)22-28-18-10-16(25)19(40(26,36)37)11-20(18)41(38,39)29-22/h3-7,10-11,13-14,17,22,27-29H,8-9,12H2,1-2H3,(H,31,32)(H,34,35)(H2,26,36,37)/t13-,14+,17-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	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)	BDBM50015472 (CHEMBL41548 | N-[7-(Aminosulfonyl)-6-chlorospiro[2...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CC(O)=O)C1CCC2(CC1)Nc1cc(Cl)c(cc1S(=O)(=O)N2)S(N)(=O)=O |wD:3.2,1.0,(6.27,-7.89,;6.27,-6.34,;4.92,-5.57,;3.59,-6.34,;2.25,-5.57,;.92,-6.36,;-.42,-5.59,;-1.77,-6.36,;-3.1,-5.59,;-3.1,-4.05,;-1.77,-3.26,;-.42,-4.03,;3.59,-7.9,;2.25,-8.67,;4.93,-8.67,;7.6,-5.57,;7.6,-4.03,;8.94,-6.34,;8.94,-7.89,;10.27,-8.66,;10.27,-10.2,;11.61,-7.89,;10.25,-5.59,;11.57,-6.36,;12.89,-5.6,;12.89,-4.08,;11.58,-3.32,;10.25,-4.08,;14.22,-4.85,;15.56,-4.08,;16.89,-4.85,;18.22,-4.08,;19.56,-4.85,;18.22,-2.53,;16.89,-1.78,;15.56,-2.53,;14.22,-1.76,;15.56,-.99,;12.89,-.99,;12.89,-2.53,;19.56,-1.75,;20.89,-.97,;20.89,-2.53,;19.56,-.21,)| Show InChI InChI=1S/C27H34ClN5O9S2/c1-16(30-20(26(37)38)8-7-17-5-3-2-4-6-17)25(36)33(15-24(34)35)18-9-11-27(12-10-18)31-21-13-19(28)22(43(29,39)40)14-23(21)44(41,42)32-27/h2-6,13-14,16,18,20,30-32H,7-12,15H2,1H3,(H,34,35)(H,37,38)(H2,29,39,40)/t16-,18?,20-,27?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	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)	BDBM50021343 (2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]...) Show SMILES CC(SC(C)=O)C(=O)N(C(C)C(O)=O)C1CCCC1 Show InChI InChI=1S/C13H21NO4S/c1-8(13(17)18)14(11-6-4-5-7-11)12(16)9(2)19-10(3)15/h8-9,11H,4-7H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	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)	BDBM50021339 (2-[Cyclopentyl-(2-mercapto-propionyl)-amino]-propi...) Show SMILES CC(S)C(=O)N(C(C)C(O)=O)C1CCCC1 Show InChI InChI=1S/C11H19NO3S/c1-7(11(14)15)12(10(13)8(2)16)9-5-3-4-6-9/h7-9,16H,3-6H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	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)	BDBM50015470 (1-[6-(4-Chloro-3-sulfamoyl-benzoylamino)-2-(1-etho...) Show SMILES Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C30H39ClN4O8S.ClH/c1-2-43-30(40)24(16-13-20-9-4-3-5-10-20)34-23(28(37)35-18-8-12-25(35)29(38)39)11-6-7-17-33-27(36)21-14-15-22(31)26(19-21)44(32,41)42;/h3-5,9-10,14-15,19,23-25,34H,2,6-8,11-13,16-18H2,1H3,(H,33,36)(H,38,39)(H2,32,41,42);1H/t23-,24-,25-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	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)	BDBM50021342 (3-(2-Mercapto-propionyl)-2,2,5,5-tetramethyl-thiaz...) Show SMILES CC(S)C(=O)N1C(C(O)=O)C(C)(C)SC1(C)C Show InChI InChI=1S/C11H19NO3S2/c1-6(16)8(13)12-7(9(14)15)10(2,3)17-11(12,4)5/h6-7,16H,1-5H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	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)	BDBM50015481 (4-(5-{Benzyl-[2-(1-ethoxycarbonyl-3-phenyl-propyla...) Show SMILES Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](CCCCNc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)OCC)C(O)=O Show InChI InChI=1S/C37H47ClN4O9S.ClH/c1-4-50-36(46)28-22-33(52(39,48)49)31(23-29(28)38)40-21-13-12-18-32(35(44)45)42(24-27-16-10-7-11-17-27)34(43)25(3)41-30(37(47)51-5-2)20-19-26-14-8-6-9-15-26;/h6-11,14-17,22-23,25,30,32,40-41H,4-5,12-13,18-21,24H2,1-3H3,(H,44,45)(H2,39,48,49);1H/t25-,30-,32+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	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)	BDBM50015468 (2-(5-{Benzyl-[2-(1-ethoxycarbonyl-3-phenyl-propyla...) Show SMILES Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](CCCCNc1cc(Cl)c(cc1C(=O)OCC)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C37H47ClN4O9S.ClH/c1-4-50-36(46)28-22-33(52(39,48)49)29(38)23-31(28)40-21-13-12-18-32(35(44)45)42(24-27-16-10-7-11-17-27)34(43)25(3)41-30(37(47)51-5-2)20-19-26-14-8-6-9-15-26;/h6-11,14-17,22-23,25,30,32,40-41H,4-5,12-13,18-21,24H2,1-3H3,(H,44,45)(H2,39,48,49);1H/t25-,30-,32+;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	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)	BDBM50421758 (CHEMBL2110310) Show SMILES C[C@@H](SC(C)=O)C(=O)N1CSC[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO4S2/c1-5(16-6(2)11)8(12)10-4-15-3-7(10)9(13)14/h5,7H,3-4H2,1-2H3,(H,13,14)/t5-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	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)	BDBM50015480 (2-{1-[Carboxymethyl-(6-chloro-1,1-dioxo-7-sulfamoy...) Show SMILES C[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/C23H28ClN5O9S2/c1-13(26-16(23(33)34)8-7-14-5-3-2-4-6-14)22(32)29(12-21(30)31)11-20-27-17-9-15(24)18(39(25,35)36)10-19(17)40(37,38)28-20/h2-6,9-10,13,16,20,26-28H,7-8,11-12H2,1H3,(H,30,31)(H,33,34)(H2,25,35,36)/t13-,16-,20?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	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)	BDBM50015475 (2-(1-{Carboxymethyl-[3-(4-chloro-3-sulfamoyl-benzo...) Show SMILES Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(CCCNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)CC(O)=O Show InChI InChI=1S/C25H31ClN4O8S.ClH/c1-16(29-20(25(35)36)11-8-17-6-3-2-4-7-17)24(34)30(15-22(31)32)13-5-12-28-23(33)18-9-10-19(26)21(14-18)39(27,37)38;/h2-4,6-7,9-10,14,16,20,29H,5,8,11-13,15H2,1H3,(H,28,33)(H,31,32)(H,35,36)(H2,27,37,38);1H/t16-,20-;/m0./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	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)	BDBM50368114 (CHEMBL1202591) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)Cc1cc(cc(I)c1O)C(C)(C)C |r| Show InChI InChI=1S/C28H37IN2O6/c1-6-37-27(36)23(13-12-19-10-8-7-9-11-19)30-18(2)26(35)31(17-24(32)33)16-20-14-21(28(3,4)5)15-22(29)25(20)34/h7-11,14-15,18,23,30,34H,6,12-13,16-17H2,1-5H3,(H,32,33)/t18-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	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)	BDBM50021341 (2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]...) Show SMILES CC(SC(C)=O)C(=O)N(C1CCCC1)C(C)(C)C(O)=O Show InChI InChI=1S/C14H23NO4S/c1-9(20-10(2)16)12(17)15(11-7-5-6-8-11)14(3,4)13(18)19/h9,11H,5-8H2,1-4H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	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)	BDBM50368116 (CHEMBL1202158) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N(C(CCCCN)C(O)=O)C1CCC2(CC1)Nc1cc(Cl)c(cc1S(=O)(=O)N2)S(N)(=O)=O |r,wU:1.0,wD:3.2,(6.06,-1.76,;7.26,-1.46,;8.33,-2.57,;9.83,-2.2,;10.89,-3.31,;12.39,-2.94,;13.46,-4.05,;14.95,-3.68,;16.02,-4.79,;15.59,-6.27,;14.1,-6.64,;13.03,-5.53,;10.26,-.72,;9.4,.17,;11.45,-.43,;7.69,.02,;8.88,.32,;6.62,1.13,;7.04,2.61,;8.54,2.98,;9.61,1.87,;11.1,2.23,;12.17,1.12,;13.37,1.42,;5.98,3.72,;6.32,4.9,;4.78,3.43,;5.12,.76,;4,1.87,;2.51,1.46,;2.13,,;3.22,-1.08,;4.7,-.7,;.79,.74,;-.54,,;-1.87,.74,;-3.21,,;-4.27,.63,;-3.21,-1.56,;-1.87,-2.33,;-.54,-1.56,;.79,-2.33,;-.29,-2.92,;1.87,-2.93,;2.13,-1.56,;-4.54,-2.34,;-5.61,-2.95,;-5.61,-1.72,;-4.54,-3.57,)| Show InChI InChI=1S/C31H43ClN6O9S2/c1-19(35-23(29(40)41)11-10-20-7-3-2-4-8-20)28(39)38(25(30(42)43)9-5-6-16-33)21-12-14-31(15-13-21)36-24-17-22(32)26(48(34,44)45)18-27(24)49(46,47)37-31/h2-4,7-8,17-19,21,23,25,35-37H,5-6,9-16,33H2,1H3,(H,40,41)(H,42,43)(H2,34,44,45)/t19-,21?,23-,25?,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	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)	BDBM50021337 (2-(2-Acetylsulfanyl-propionyl)-3-methyl-1,2,3,4-te...) Show SMILES CC(SC(C)=O)C(=O)N1Cc2ccccc2CC1(C)C(O)=O Show InChI InChI=1S/C16H19NO4S/c1-10(22-11(2)18)14(19)17-9-13-7-5-4-6-12(13)8-16(17,3)15(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	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)	BDBM50021335 (3-(2-Acetylsulfanyl-propionyl)-2,2,5,5-tetramethyl...) Show SMILES CC(SC(C)=O)C(=O)N1C(C(O)=O)C(C)(C)SC1(C)C Show InChI InChI=1S/C13H21NO4S2/c1-7(19-8(2)15)10(16)14-9(11(17)18)12(3,4)20-13(14,5)6/h7,9H,1-6H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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