BDBM299642 US9593110, Example 101b::US9593110, Example 101c::US9593110, Example 102b::US9593110, Example 102c::US9593110, Example 103b::US9593110, Example 103d::US9593110, Example 105::US9593110, Example 106::US9593110, Example 87b::US9593110, Example 88b::US9593110, Example 89b::US9593110, Example 90b::US9593110, Example 91b::US9593110, Example 92b::US9593110, Example 93b::US9593110, Example 94b::US9593110, Example 95b

SMILES: CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O

InChI Key: InChIKey=XUESFXPWPSYPQC-NZQKXSOJSA-N

Data: 17 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 299642   

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
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM299642 (US9593110, Example 101b | US9593110, Example 101c ...) Show SMILES CCOC(=O)[C@H](COS(=O)(=O)c1ccc(Br)cc1)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NB(C)O |r| Show InChI InChI=1S/C27H29BBrClFNO6S/c1-3-37-27(33)20(17-38-39(35,36)24-11-8-21(29)9-12-24)15-23(32-28(2)34)14-18-4-6-19(7-5-18)25-16-22(30)10-13-26(25)31/h4-13,16,20,23,32,34H,3,14-15,17H2,1-2H3/t20-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravence Biopharma R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US9593110 (2017) BindingDB Entry DOI: 10.7270/Q2MC9224
					More data for this Ligand-Target Pair