Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 1265   

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
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314096 (US9610322, 6b (trans olefin)) Show SMILES NC(=C)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:9| Show InChI InChI=1S/C43H55N5O7/c1-28(44)17-22-34-38(50)27-33(25-29-11-5-2-6-12-29)43(55)48-36(26-30-18-20-32(21-19-30)41(53)31-13-7-3-8-14-31)37(49)16-10-4-9-15-35(42(45)54)47-40(52)24-23-39(51)46-34/h3,7-8,13-14,18-21,23-24,29,33-36H,1-2,4-6,9-12,15-17,22,25-27,44H2,(H2,45,54)(H,46,51)(H,47,52)(H,48,55)/b24-23+/t33-,34+,35+,36?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314094 (US9610322, 5b (trans olefin)) Show SMILES NC(=O)[C@@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53| Show InChI InChI=1S/C43H54N4O7/c44-42(53)34-14-8-3-9-15-37(48)35(25-30-18-20-32(21-19-30)41(52)31-12-6-2-7-13-31)47-43(54)33(24-28-10-4-1-5-11-28)27-38(49)36(26-29-16-17-29)46-40(51)23-22-39(50)45-34/h2,6-7,12-13,18-23,28-29,33-36H,1,3-5,8-11,14-17,24-27H2,(H2,44,53)(H,45,50)(H,46,51)(H,47,54)/b23-22+/t33-,34+,35?,36+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314089 (US9610322, 3b (trans olefin)) Show SMILES NC(=O)[C@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:56| Show InChI InChI=1S/C46H60N4O7/c47-45(56)37-19-11-4-12-20-40(51)38(29-33-21-23-35(24-22-33)44(55)34-17-9-3-10-18-34)50-46(57)36(27-31-13-5-1-6-14-31)30-41(52)39(28-32-15-7-2-8-16-32)49-43(54)26-25-42(53)48-37/h3,9-10,17-18,21-26,31-32,36-39H,1-2,4-8,11-16,19-20,27-30H2,(H2,47,56)(H,48,53)(H,49,54)(H,50,57)/b26-25+/t36-,37-,38?,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314095 (US9610322, 6a (cis olefin)) Show SMILES NC(=C)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@H](CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:9| Show InChI InChI=1S/C43H55N5O7/c1-28(44)17-22-34-38(50)27-33(25-29-11-5-2-6-12-29)43(55)48-36(26-30-18-20-32(21-19-30)41(53)31-13-7-3-8-14-31)37(49)16-10-4-9-15-35(42(45)54)47-40(52)24-23-39(51)46-34/h3,7-8,13-14,18-21,23-24,29,33-36H,1-2,4-6,9-12,15-17,22,25-27,44H2,(H2,45,54)(H,46,51)(H,47,52)(H,48,55)/b24-23+/t33-,34+,35-,36?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314087 (US9610322, 2 (cis olefin)) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:11| Show InChI InChI=1S/C43H57N7O7/c44-41(56)34-15-8-3-9-17-36(51)35(26-29-18-20-31(21-19-29)40(55)30-13-6-2-7-14-30)50-42(57)32(25-28-11-4-1-5-12-28)27-37(52)33(16-10-24-47-43(45)46)48-38(53)22-23-39(54)49-34/h2,6-7,13-14,18-23,28,32-35H,1,3-5,8-12,15-17,24-27H2,(H2,44,56)(H,48,53)(H,49,54)(H,50,57)(H4,45,46,47)/b23-22+/t32-,33+,34?,35?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314088 (US9610322, 3a (cis olefin)) Show SMILES NC(=O)[C@@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:56| Show InChI InChI=1S/C46H60N4O7/c47-45(56)37-19-11-4-12-20-40(51)38(29-33-21-23-35(24-22-33)44(55)34-17-9-3-10-18-34)50-46(57)36(27-31-13-5-1-6-14-31)30-41(52)39(28-32-15-7-2-8-16-32)49-43(54)26-25-42(53)48-37/h3,9-10,17-18,21-26,31-32,36-39H,1-2,4-8,11-16,19-20,27-30H2,(H2,47,56)(H,48,53)(H,49,54)(H,50,57)/b26-25+/t36-,37+,38?,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314093 (US9610322, 5a (cis olefin)) Show SMILES NC(=O)[C@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53| Show InChI InChI=1S/C43H54N4O7/c44-42(53)34-14-8-3-9-15-37(48)35(25-30-18-20-32(21-19-30)41(52)31-12-6-2-7-13-31)47-43(54)33(24-28-10-4-1-5-11-28)27-38(49)36(26-29-16-17-29)46-40(51)23-22-39(50)45-34/h2,6-7,12-13,18-23,28-29,33-36H,1,3-5,8-11,14-17,24-27H2,(H2,44,53)(H,45,50)(H,46,51)(H,47,54)/b23-22+/t33-,34-,35?,36+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314092 (US9610322, 4b (trans olefin)) Show SMILES NC(=O)[C@@H]1CCCCCC(=O)CNC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:39| Show InChI InChI=1S/C32H50N4O6/c33-31(41)26-15-9-3-8-14-25(37)21-34-32(42)24(18-22-10-4-1-5-11-22)20-28(38)27(19-23-12-6-2-7-13-23)36-30(40)17-16-29(39)35-26/h16-17,22-24,26-27H,1-15,18-21H2,(H2,33,41)(H,34,42)(H,35,39)(H,36,40)/b17-16+/t24-,26+,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314086 (US9610322, 1 (cis olefin)) Show SMILES NC(=N)NCCC[C@H]1NC(=O)\C=C\C(=O)NC(CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:11| Show InChI InChI=1S/C43H57N7O7/c44-41(56)34-15-8-3-9-17-36(51)35(26-29-18-20-31(21-19-29)40(55)30-13-6-2-7-14-30)50-42(57)32(25-28-11-4-1-5-12-28)27-37(52)33(16-10-24-47-43(45)46)48-38(53)22-23-39(54)49-34/h2,6-7,13-14,18-23,28,32-35H,1,3-5,8-12,15-17,24-27H2,(H2,44,56)(H,48,53)(H,49,54)(H,50,57)(H4,45,46,47)/b23-22+/t32-,33+,34?,35?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM314090 (US9610322, 4a (cis olefin)) Show SMILES NC(=O)[C@H]1CCCCCC(=O)CNC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:39| Show InChI InChI=1S/C32H50N4O6/c33-31(41)26-15-9-3-8-14-25(37)21-34-32(42)24(18-22-10-4-1-5-11-22)20-28(38)27(19-23-12-6-2-7-13-23)36-30(40)17-16-29(39)35-26/h16-17,22-24,26-27H,1-15,18-21H2,(H2,33,41)(H,34,42)(H,35,39)(H,36,40)/b17-16+/t24-,26-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
President and Fellows of Harvard College US Patent					Assay Description In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...				US Patent US9610322 (2017) BindingDB Entry DOI: 10.7270/Q29Z970C
					More data for this Ligand-Target Pair