Compile Data Set for Download or QSAR

Found 10 hits of ki data for polymerid = 50002078   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme 2 (Rattus norvegicus)	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021033 (CHEMBL429227 | N-[[[(Tyrosyl-D-alanyl)amino]methyl...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)[C@H](C)NC(=O)C(N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H40N5O7P/c1-17(2)13-23(27(36)37)31-24(15-19-7-5-4-6-8-19)32-40(38,39)16-29-25(34)18(3)30-26(35)22(28)14-20-9-11-21(33)12-10-20/h4-12,17-18,22-24,31,33H,13-16,28H2,1-3H3,(H,29,34)(H,30,35)(H,36,37)(H2,32,38,39)/p-1/t18-,22?,23?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021032 (CHEMBL281394 | N-[[(Acetylamino)methyl]hydroxyphos...) Show SMILES CSCCC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O Show InChI InChI=1S/C16H26N3O5PS/c1-12(20)17-11-25(23,24)19-15(10-13-6-4-3-5-7-13)18-14(16(21)22)8-9-26-2/h3-7,14-15,18H,8-11H2,1-2H3,(H,17,20)(H,21,22)(H2,19,23,24)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021031 (CHEMBL19352 | N-[[[(Tyrosylglycyl)amino]methyl]hyd...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H38N5O7P/c1-17(2)12-22(26(35)36)30-23(14-18-6-4-3-5-7-18)31-39(37,38)16-29-24(33)15-28-25(34)21(27)13-19-8-10-20(32)11-9-19/h3-11,17,21-23,30,32H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,35,36)(H2,31,37,38)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021026 (CHEMBL417094 | N-[[(Acetylamino)methyl]hydroxyphos...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O Show InChI InChI=1S/C17H28N3O5P/c1-12(2)9-15(17(22)23)19-16(10-14-7-5-4-6-8-14)20-26(24,25)11-18-13(3)21/h4-8,12,15-16,19H,9-11H2,1-3H3,(H,18,21)(H,22,23)(H2,20,24,25)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021030 (CHEMBL277431 | N-(Hydroxymethylphosphinothioyl)phe...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NP(C)([O-])=S)C([O-])=O Show InChI InChI=1S/C16H25N2O4PS/c1-11(2)9-14(16(20)21)17-15(19)13(18-23(3,22)24)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,19)(H,20,21)(H2,18,22,24)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021029 (CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021034 (CHEMBL20089 | N-[[(Phenylacetyl)amino]methyl]hydro...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C23H32N3O5P/c1-17(2)13-20(23(28)29)25-21(14-18-9-5-3-6-10-18)26-32(30,31)16-24-22(27)15-19-11-7-4-8-12-19/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,24,27)(H,28,29)(H2,26,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50021027 (CHEMBL277394 | N-[[[(3-Phenylpropionoyl)amino]meth...) Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CCc1ccccc1)C(O)=O Show InChI InChI=1S/C24H34N3O5P/c1-18(2)15-21(24(29)30)26-22(16-20-11-7-4-8-12-20)27-33(31,32)17-25-23(28)14-13-19-9-5-3-6-10-19/h3-12,18,21-22,26H,13-17H2,1-2H3,(H,25,28)(H,29,30)(H2,27,31,32)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Rattus norvegicus)	BDBM50367255 (CHEMBL1744144) Show SMILES CCOP(=O)(CNC(C)=O)NC(Cc1ccccc1)NC(CCSC)C([O-])=O Show InChI InChI=1S/C18H30N3O5PS/c1-4-26-27(25,13-19-14(2)22)21-17(12-15-8-6-5-7-9-15)20-16(18(23)24)10-11-28-3/h5-9,16-17,20H,4,10-13H2,1-3H3,(H,19,22)(H,21,25)(H,23,24)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.50E+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 towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.				J Med Chem 28: 1208-16 (1985) BindingDB Entry DOI: 10.7270/Q2VM4CVV
					More data for this Ligand-Target Pair