Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with all data for entry = 1150   

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
Renin (Homo sapiens (Human))	BDBM212499 (US10155731, Example 57 | US9278944, 57) Show SMILES COCCCn1nc(C)c2c(cc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1)C(F)(F)F |r| Show InChI InChI=1S/C23H31F3N4O3/c1-14-21-18(23(24,25)26)11-16(12-19(21)29(28-14)8-4-9-32-3)15(2)30(17-5-6-17)22(31)20-13-27-7-10-33-20/h11-12,15,17,20,27H,4-10,13H2,1-3H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212579 (US10155731, Example 270 | US9278944, 270) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212482 (US10155731, Example 36 | US9278944, 36) Show SMILES COCCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C23H34N4O3/c1-16-6-9-19-20(15-26(22(19)25-16)11-4-5-12-29-3)17(2)27(18-7-8-18)23(28)21-14-24-10-13-30-21/h6,9,15,17-18,21,24H,4-5,7-8,10-14H2,1-3H3/t17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212584 (US10155731, Example 284 | US9278944, 284) Show SMILES COC(=O)NCCCc1cc(cc(OC)n1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N4O5/c1-14(25(17-6-7-17)20(26)18-13-22-9-10-30-18)15-11-16(24-19(12-15)28-2)5-4-8-23-21(27)29-3/h11-12,14,17-18,22H,4-10,13H2,1-3H3,(H,23,27)/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212512 (US10155731, Example 70 | US9278944, 70) Show SMILES COCCCn1nc(C)c2c(F)cc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H31FN4O3/c1-14-21-18(23)11-16(12-19(21)26(25-14)8-4-9-29-3)15(2)27(17-5-6-17)22(28)20-13-24-7-10-30-20/h11-12,15,17,20,24H,4-10,13H2,1-3H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212532 (US10155731, Example 97 | US9278944, 97) Show SMILES COCCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| Show InChI InChI=1S/C22H32N4O3/c1-16(26(17-9-10-17)22(27)20-15-23-11-14-29-20)21-18-7-3-4-8-19(18)25(24-21)12-5-6-13-28-2/h3-4,7-8,16-17,20,23H,5-6,9-15H2,1-2H3/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212506 (US10155731, Example 64 | US9278944, 64) Show SMILES COCCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C22H32N4O3/c1-16(26(17-7-8-17)22(27)20-14-23-10-13-29-20)19-15-25(11-3-4-12-28-2)21-18(19)6-5-9-24-21/h5-6,9,15-17,20,23H,3-4,7-8,10-14H2,1-2H3/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212582 (US10155731, Example 280 | US9278944, 280) Show SMILES COC(=O)NCCCc1cc(cnc1OC)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N4O5/c1-14(25(17-6-7-17)20(26)18-13-22-9-10-30-18)16-11-15(19(28-2)24-12-16)5-4-8-23-21(27)29-3/h11-12,14,17-18,22H,4-10,13H2,1-3H3,(H,23,27)/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212516 (US10155731, Example 78 | US9278944, 78) Show SMILES COCCCn1cc(C)c2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C23H33N3O3/c1-16-15-25(10-4-11-28-3)21-13-18(5-8-20(16)21)17(2)26(19-6-7-19)23(27)22-14-24-9-12-29-22/h5,8,13,15,17,19,22,24H,4,6-7,9-12,14H2,1-3H3/t17-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212517 (US10155731, Example 79 | US9278944, 79) Show SMILES COCCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cc(F)cnc12 |r| Show InChI InChI=1S/C22H31FN4O3/c1-15(27(17-5-6-17)22(28)20-13-24-7-10-30-20)19-14-26(8-3-4-9-29-2)21-18(19)11-16(23)12-25-21/h11-12,14-15,17,20,24H,3-10,13H2,1-2H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212466 (US10155731, Example 10 | US9278944, 10) Show SMILES COCCCn1nc(C)c2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H32N4O3/c1-15-19-8-5-17(13-20(19)25(24-15)10-4-11-28-3)16(2)26(18-6-7-18)22(27)21-14-23-9-12-29-21/h5,8,13,16,18,21,23H,4,6-7,9-12,14H2,1-3H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212575 (US10155731, Example 152 | US9278944, 152) Show SMILES COCCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2nccc(C)c12 |r| Show InChI InChI=1S/C23H34N4O3/c1-16-8-9-25-21-19(15-26(22(16)21)11-4-5-12-29-3)17(2)27(18-6-7-18)23(28)20-14-24-10-13-30-20/h8-9,15,17-18,20,24H,4-7,10-14H2,1-3H3/t17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM311173 (US10155731, Example 304) Show SMILES COC(=O)NCCCc1cc(cc(OC(C)C)n1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C23H36N4O5/c1-15(2)32-21-13-17(12-18(26-21)6-5-9-25-23(29)30-4)16(3)27(19-7-8-19)22(28)20-14-24-10-11-31-20/h12-13,15-16,19-20,24H,5-11,14H2,1-4H3,(H,25,29)/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212477 (US10155731, Example 28 | US9278944, 28) Show SMILES COCCCn1cc(Cl)c2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-15(26(17-5-6-17)22(27)21-13-24-8-11-29-21)16-4-7-18-19(23)14-25(20(18)12-16)9-3-10-28-2/h4,7,12,14-15,17,21,24H,3,5-6,8-11,13H2,1-2H3/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212485 (US10155731, Example 39 | US9278944, 39) Show SMILES COCCCn1nc(C)c2c(Cl)cc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H31ClN4O3/c1-14-21-18(23)11-16(12-19(21)26(25-14)8-4-9-29-3)15(2)27(17-5-6-17)22(28)20-13-24-7-10-30-20/h11-12,15,17,20,24H,4-10,13H2,1-3H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212509 (US10155731, Example 67 | US9278944, 67) Show SMILES COC(=O)NCCOc1cc(cc2ccccc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C24H31N3O5/c1-16(27(19-7-8-19)23(28)22-15-25-9-11-32-22)18-13-17-5-3-4-6-20(17)21(14-18)31-12-10-26-24(29)30-2/h3-6,13-14,16,19,22,25H,7-12,15H2,1-2H3,(H,26,29)/t16-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212488 (US10155731, Example 42 | US9278944, 42) Show SMILES COC(=O)NCCCn1cc(C(C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C22H31N5O4/c1-15(27(16-6-7-16)21(28)19-13-23-10-12-31-19)18-14-26(11-4-9-25-22(29)30-2)20-17(18)5-3-8-24-20/h3,5,8,14-16,19,23H,4,6-7,9-13H2,1-2H3,(H,25,29)/t15?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM311171 (US10155731, Example 299) Show SMILES COCCOc1cc(cc(CCCNC(=O)OC)n1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C23H36N4O6/c1-16(27(19-6-7-19)22(28)20-15-24-9-10-32-20)17-13-18(5-4-8-25-23(29)31-3)26-21(14-17)33-12-11-30-2/h13-14,16,19-20,24H,4-12,15H2,1-3H3,(H,25,29)/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212489 (US10155731, Example 43 | US9278944, 43) Show SMILES COCCCOc1cc(cc2occc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H30N2O5/c1-15(24(17-4-5-17)22(25)21-14-23-7-11-29-21)16-12-19(27-9-3-8-26-2)18-6-10-28-20(18)13-16/h6,10,12-13,15,17,21,23H,3-5,7-9,11,14H2,1-2H3/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212497 (US10155731, Example 55 | US9278944, 55) Show SMILES COCCCOc1cc(cc2OCCc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H32N2O5/c1-15(24(17-4-5-17)22(25)21-14-23-7-11-29-21)16-12-19(27-9-3-8-26-2)18-6-10-28-20(18)13-16/h12-13,15,17,21,23H,3-11,14H2,1-2H3/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212501 (US10155731, Example 59 | US9278944, 59) Show SMILES COCCCn1ccc2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H31N3O3/c1-16(25(19-6-7-19)22(26)21-15-23-9-13-28-21)18-5-4-17-8-11-24(20(17)14-18)10-3-12-27-2/h4-5,8,11,14,16,19,21,23H,3,6-7,9-10,12-13,15H2,1-2H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212487 (US10155731, Example 41 | US9278944, 41) Show SMILES COCCCn1nc(C)c2c(C)cc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C23H34N4O3/c1-15-12-18(13-20-22(15)16(2)25-26(20)9-5-10-29-4)17(3)27(19-6-7-19)23(28)21-14-24-8-11-30-21/h12-13,17,19,21,24H,5-11,14H2,1-4H3/t17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212538 (US10155731, Example 103 | US9278944, 103) Show SMILES COCCCOc1cc(cc2ccoc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H30N2O5/c1-15(24(18-4-5-18)22(25)20-14-23-7-11-28-20)17-12-16-6-10-29-21(16)19(13-17)27-9-3-8-26-2/h6,10,12-13,15,18,20,23H,3-5,7-9,11,14H2,1-2H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212508 (US10155731, Example 66 | US9278944, 66) Show SMILES COC(=O)NCCOc1cc(cc2ccccc12)C(C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C24H31N3O5/c1-16(27(19-7-8-19)23(28)22-15-25-9-11-32-22)18-13-17-5-3-4-6-20(17)21(14-18)31-12-10-26-24(29)30-2/h3-6,13-14,16,19,22,25H,7-12,15H2,1-2H3,(H,26,29)/t16?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212563 (US10155731, Example 276 | US9278944, 139 | US92789...) Show SMILES COCCCCc1cc(ccc1OC)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H34N2O4/c1-16(24(19-8-9-19)22(25)21-15-23-11-13-28-21)17-7-10-20(27-3)18(14-17)6-4-5-12-26-2/h7,10,14,16,19,21,23H,4-6,8-9,11-13,15H2,1-3H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212563 (US10155731, Example 276 | US9278944, 139 | US92789...) Show SMILES COCCCCc1cc(ccc1OC)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H34N2O4/c1-16(24(19-8-9-19)22(25)21-15-23-11-13-28-21)17-7-10-20(27-3)18(14-17)6-4-5-12-26-2/h7,10,14,16,19,21,23H,4-6,8-9,11-13,15H2,1-3H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212586 (US10155731, Example 286 | US9278944, 286) Show SMILES CCc1cc(cc(CCCNC(=O)OC)n1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H34N4O4/c1-4-17-12-16(13-18(25-17)6-5-9-24-22(28)29-3)15(2)26(19-7-8-19)21(27)20-14-23-10-11-30-20/h12-13,15,19-20,23H,4-11,14H2,1-3H3,(H,24,28)/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212550 (US10155731, Example 124 | US9278944, 124) Show SMILES COCCCn1ncc2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H30N4O3/c1-15(25(18-6-7-18)21(26)20-14-22-8-11-28-20)16-4-5-17-13-23-24(19(17)12-16)9-3-10-27-2/h4-5,12-13,15,18,20,22H,3,6-11,14H2,1-2H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212554 (US10155731, Example 128 | US9278944, 128) Show SMILES COCCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H31N5O3/c1-15(26(16-7-8-16)21(27)18-14-22-10-13-29-18)19-17-6-5-9-23-20(17)25(24-19)11-3-4-12-28-2/h5-6,9,15-16,18,22H,3-4,7-8,10-14H2,1-2H3/t15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM311172 (US10155731, Example 301) Show SMILES COCCCc1cc(cc(CCCNC(=O)OC)n1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C24H38N4O5/c1-17(28(21-8-9-21)23(29)22-16-25-11-13-33-22)18-14-19(6-4-10-26-24(30)32-3)27-20(15-18)7-5-12-31-2/h14-15,17,21-22,25H,4-13,16H2,1-3H3,(H,26,30)/t17-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212577 (US10155731, Example 268 | US9278944, 268) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212580 (US10155731, Example 271 | US9278944, 271) Show SMILES COC(=O)NCCCn1nc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212484 (US10155731, Example 38 | US9278944, 38) Show SMILES COCCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2c(F)ccnc12 |r| Show InChI InChI=1S/C22H31FN4O3/c1-15(27(16-5-6-16)22(28)19-13-24-9-12-30-19)17-14-26(10-3-4-11-29-2)21-20(17)18(23)7-8-25-21/h7-8,14-16,19,24H,3-6,9-13H2,1-2H3/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212526 (US10155731, Example 89 | US9278944, 89) Show SMILES COCCCOc1cc(cc(Br)c1OC)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H31BrN2O5/c1-14(24(16-5-6-16)21(25)19-13-23-7-10-29-19)15-11-17(22)20(27-3)18(12-15)28-9-4-8-26-2/h11-12,14,16,19,23H,4-10,13H2,1-3H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212565 (US10155731, Example 141 | US9278944, 141) Show SMILES COCCCn1nc(F)c2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H29FN4O3/c1-14(26(16-5-6-16)21(27)19-13-23-8-11-29-19)15-4-7-17-18(12-15)25(24-20(17)22)9-3-10-28-2/h4,7,12,14,16,19,23H,3,5-6,8-11,13H2,1-2H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212545 (US10155731, Example 114 | US9278944, 114) Show SMILES COCCCCn1cc(C(C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ncccc12 |r| Show InChI InChI=1S/C22H32N4O3/c1-16(26(17-7-8-17)22(27)20-14-23-10-13-29-20)18-15-25(11-3-4-12-28-2)19-6-5-9-24-21(18)19/h5-6,9,15-17,20,23H,3-4,7-8,10-14H2,1-2H3/t16?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212494 (US10155731, Example 52 | US9278944, 52) Show SMILES COc1cc(nc2ccccc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H25N3O3/c1-13(17-11-18(25-2)15-5-3-4-6-16(15)22-17)23(14-7-8-14)20(24)19-12-21-9-10-26-19/h3-6,11,13-14,19,21H,7-10,12H2,1-2H3/t13-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212533 (US10155731, Example 98 | US9278944, 98) Show SMILES COCCCCn1nc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12 |r| Show InChI InChI=1S/C22H32N4O3/c1-16(26(17-9-10-17)22(27)20-15-23-11-14-29-20)21-18-7-3-4-8-19(18)25(24-21)12-5-6-13-28-2/h3-4,7-8,16-17,20,23H,5-6,9-15H2,1-2H3/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212568 (US10155731, Example 144 | US9278944, 144) Show SMILES COCCCOc1nc(nc2ccccc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H30N4O4/c1-15(26(16-8-9-16)22(27)19-14-23-10-13-29-19)20-24-18-7-4-3-6-17(18)21(25-20)30-12-5-11-28-2/h3-4,6-7,15-16,19,23H,5,8-14H2,1-2H3/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212478 (US10155731, Example 29 | US9278944, 29) Show SMILES COCCCn1cc(Cl)c2ccc(cc12)[C@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H30ClN3O3/c1-15(26(17-5-6-17)22(27)21-13-24-8-11-29-21)16-4-7-18-19(23)14-25(20(18)12-16)9-3-10-28-2/h4,7,12,14-15,17,21,24H,3,5-6,8-11,13H2,1-2H3/t15-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212585 (US10155731, Example 285 | US9278944, 285) Show SMILES COC(=O)NCCCc1cc(cc(OC)n1)[C@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N4O5/c1-14(25(17-6-7-17)20(26)18-13-22-9-10-30-18)15-11-16(24-19(12-15)28-2)5-4-8-23-21(27)29-3/h11-12,14,17-18,22H,4-10,13H2,1-3H3,(H,23,27)/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212561 (US10155731, Example 137 | US9278944, 137) Show SMILES COCCCn1cc(Cl)c2cnc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H29ClN4O3/c1-14(26(15-4-5-15)21(27)20-12-23-6-9-29-20)18-10-19-16(11-24-18)17(22)13-25(19)7-3-8-28-2/h10-11,13-15,20,23H,3-9,12H2,1-2H3/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212507 (US10155731, Example 65 | US9278944, 65) Show SMILES COCCCCn1cc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C22H32N4O3/c1-16(26(17-7-8-17)22(27)20-14-23-10-13-29-20)19-15-25(11-3-4-12-28-2)21-18(19)6-5-9-24-21/h5-6,9,15-17,20,23H,3-4,7-8,10-14H2,1-2H3/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212552 (US10155731, Example 126 | US9278944, 126) Show SMILES COCCCOc1cc(cc(Cl)c1OC)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H31ClN2O5/c1-14(24(16-5-6-16)21(25)19-13-23-7-10-29-19)15-11-17(22)20(27-3)18(12-15)28-9-4-8-26-2/h11-12,14,16,19,23H,4-10,13H2,1-3H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212483 (US10155731, Example 37 | US9278944, 37) Show SMILES COCCCCn1cc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2c(F)ccnc12 |r| Show InChI InChI=1S/C22H31FN4O3/c1-15(27(16-5-6-16)22(28)19-13-24-9-12-30-19)17-14-26(10-3-4-11-29-2)21-20(17)18(23)7-8-25-21/h7-8,14-16,19,24H,3-6,9-13H2,1-2H3/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212578 (US10155731, Example 269 | US9278944, 269) Show SMILES COC(=O)NCCCn1nc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212583 (US10155731, Example 281 | US9278944, 281) Show SMILES COC(=O)NCCCc1cc(cnc1OC)[C@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N4O5/c1-14(25(17-6-7-17)20(26)18-13-22-9-10-30-18)16-11-15(19(28-2)24-12-16)5-4-8-23-21(27)29-3/h11-12,14,17-18,22H,4-10,13H2,1-3H3,(H,23,27)/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212481 (US10155731, Example 35 | US9278944, 35) Show SMILES COCCCOc1cc2[C@@H](CCc2cc1Br)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H29BrN2O4/c1-26-8-2-9-27-19-12-16-14(11-17(19)22)3-6-18(16)24(15-4-5-15)21(25)20-13-23-7-10-28-20/h11-12,15,18,20,23H,2-10,13H2,1H3/t18-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212502 (US10155731, Example 60 | US9278944, 60) Show SMILES COCCCN1CCc2ccc(cc12)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H33N3O3/c1-16(25(19-6-7-19)22(26)21-15-23-9-13-28-21)18-5-4-17-8-11-24(20(17)14-18)10-3-12-27-2/h4-5,14,16,19,21,23H,3,6-13,15H2,1-2H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212524 (US10155731, Example 87 | US9278944, 87) Show SMILES COCCCCn1cc([C@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r| Show InChI InChI=1S/C23H34N4O3/c1-16-6-9-19-20(15-26(22(19)25-16)11-4-5-12-29-3)17(2)27(18-7-8-18)23(28)21-14-24-10-13-30-21/h6,9,15,17-18,21,24H,4-5,7-8,10-14H2,1-3H3/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair

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