Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'swiss' and Initial = 'gf'   

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 (Homo sapiens (Human))	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017122 (7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50017122 (7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vivo for inhibition of Angiotensin I converting enzyme in rat				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	22	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description In vitro 50% inhibition of Angiotensin I converting enzyme				J Med Chem 31: 875-85 (1988) BindingDB Entry DOI: 10.7270/Q2GT5NRV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50017124 (7-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propi...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50018792 ((L)-1-(3-Mercapto-propionyl)-pyrrolidine-2-carboxy...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCS |r| Show InChI InChI=1S/C8H13NO3S/c10-7(3-5-13)9-4-1-2-6(9)8(11)12/h6,13H,1-5H2,(H,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme with relative to captopril(=1)				J Med Chem 31: 875-85 (1988) BindingDB Entry DOI: 10.7270/Q2GT5NRV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017126 (7-[6-Amino-2-(1-ethoxycarbonyl-3-phenyl-propylamin...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCN)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C25H37N3O5S2/c1-2-33-24(32)20(12-11-18-8-4-3-5-9-18)27-19(10-6-7-13-26)22(29)28-17-25(34-14-15-35-25)16-21(28)23(30)31/h3-5,8-9,19-21,27H,2,6-7,10-17,26H2,1H3,(H,30,31)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017129 ((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair