Compile Data Set for Download or QSAR

Found 14 hits of ki for UniProtKB: P12821   

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/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471705 (US10829438, Example 1G | US11174219, Example 1G) Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471714 (US10829438, Example 6A | US11174219, Example 6A) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471713 (US10829438, Example 5B | US11174219, Example 5B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471712 (US10829438, Example 4B | US11174219, Example 4B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471710 (US10829438, Example 1L | US11174219, Example 1L) Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471710 (US10829438, Example 1L | US11174219, Example 1L) Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471712 (US10829438, Example 4B | US11174219, Example 4B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471713 (US10829438, Example 5B | US11174219, Example 5B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471714 (US10829438, Example 6A | US11174219, Example 6A) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471705 (US10829438, Example 1G | US11174219, Example 1G) Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471711 (US10829438, Example 1M | US11174219, Example 1M) Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471711 (US10829438, Example 1M | US11174219, Example 1M) Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471709 (US10829438, Example 1I | US11174219, Example 1I) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471709 (US10829438, Example 1I | US11174219, Example 1I) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair