Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'fukase' and Initial = 'y'   

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))	BDBM50195783 (CHEMBL3907708) Show SMILES COC(=O)[C@H]1CNC[C@H](C1)N(CC(C)C)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C25H37N5O4/c1-16(2)15-30(18-10-17(11-26-12-18)23(32)33-6)22(31)20-14-28-24(25(3,4)5)29-21(20)27-13-19-8-7-9-34-19/h7-9,14,16-18,26H,10-13,15H2,1-6H3,(H,27,28,29)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195783 (CHEMBL3907708) Show SMILES COC(=O)[C@H]1CNC[C@H](C1)N(CC(C)C)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C25H37N5O4/c1-16(2)15-30(18-10-17(11-26-12-18)23(32)33-6)22(31)20-14-28-24(25(3,4)5)29-21(20)27-13-19-8-7-9-34-19/h7-9,14,16-18,26H,10-13,15H2,1-6H3,(H,27,28,29)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273203 (CHEMBL4128929) Show SMILES COCCCCn1c(ccc1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H44N4O4/c1-23(2)22-34(26-19-25(20-31-21-26)29(35)32-14-17-38-18-15-32)30(36)28-12-11-27(24-9-5-4-6-10-24)33(28)13-7-8-16-37-3/h4-6,9-12,23,25-26,31H,7-8,13-22H2,1-3H3/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273163 (CHEMBL4126136) Show SMILES CCCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C28H48N6O3/c1-7-8-9-10-30-24-23(18-31-27(32-24)28(4,5)6)26(36)34(19-20(2)3)22-15-21(16-29-17-22)25(35)33-11-13-37-14-12-33/h18,20-22,29H,7-17,19H2,1-6H3,(H,30,31,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273198 (CHEMBL4130200) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-17(2)15-27(19-12-18(16-28)13-24-14-19)23(29)22-25-20-8-4-5-9-21(20)26(22)10-6-7-11-30-3/h4-5,8-9,17-19,24,28H,6-7,10-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273198 (CHEMBL4130200) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-17(2)15-27(19-12-18(16-28)13-24-14-19)23(29)22-25-20-8-4-5-9-21(20)26(22)10-6-7-11-30-3/h4-5,8-9,17-19,24,28H,6-7,10-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195783 (CHEMBL3907708) Show SMILES COC(=O)[C@H]1CNC[C@H](C1)N(CC(C)C)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C25H37N5O4/c1-16(2)15-30(18-10-17(11-26-12-18)23(32)33-6)22(31)20-14-28-24(25(3,4)5)29-21(20)27-13-19-8-7-9-34-19/h7-9,14,16-18,26H,10-13,15H2,1-6H3,(H,27,28,29)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195783 (CHEMBL3907708) Show SMILES COC(=O)[C@H]1CNC[C@H](C1)N(CC(C)C)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C25H37N5O4/c1-16(2)15-30(18-10-17(11-26-12-18)23(32)33-6)22(31)20-14-28-24(25(3,4)5)29-21(20)27-13-19-8-7-9-34-19/h7-9,14,16-18,26H,10-13,15H2,1-6H3,(H,27,28,29)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273202 (CHEMBL4129081) Show SMILES COCCCCc1c(nnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50195788 (CHEMBL3961799) Show SMILES CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C23H35N5O2/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273174 (CHEMBL4125900) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C22H31N5O3/c1-15(2)14-27(22(29)20-24-18-5-3-4-6-19(18)25-20)17-11-16(12-23-13-17)21(28)26-7-9-30-10-8-26/h3-6,15-17,23H,7-14H2,1-2H3,(H,24,25)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273161 (CHEMBL4127179) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2n1C |r| Show InChI InChI=1S/C23H33N5O3/c1-16(2)15-28(23(30)21-25-19-6-4-5-7-20(19)26(21)3)18-12-17(13-24-14-18)22(29)27-8-10-31-11-9-27/h4-7,16-18,24H,8-15H2,1-3H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273163 (CHEMBL4126136) Show SMILES CCCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C28H48N6O3/c1-7-8-9-10-30-24-23(18-31-27(32-24)28(4,5)6)26(36)34(19-20(2)3)22-15-21(16-29-17-22)25(35)33-11-13-37-14-12-33/h18,20-22,29H,7-17,19H2,1-6H3,(H,30,31,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273202 (CHEMBL4129081) Show SMILES COCCCCc1c(nnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273172 (CHEMBL4129865) Show SMILES CCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O3/c1-4-28-21-8-6-5-7-20(21)26-22(28)24(31)29(16-17(2)3)19-13-18(14-25-15-19)23(30)27-9-11-32-12-10-27/h5-8,17-19,25H,4,9-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273161 (CHEMBL4127179) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2n1C |r| Show InChI InChI=1S/C23H33N5O3/c1-16(2)15-28(23(30)21-25-19-6-4-5-7-20(19)26(21)3)18-12-17(13-24-14-18)22(29)27-8-10-31-11-9-27/h4-7,16-18,24H,8-15H2,1-3H3/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273162 (CHEMBL4128795) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C25H40N4O3/c1-18(2)17-29(20-14-19(15-26-16-20)25(3,4)31)24(30)23-27-21-10-6-7-11-22(21)28(23)12-8-9-13-32-5/h6-7,10-11,18-20,26,31H,8-9,12-17H2,1-5H3/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273174 (CHEMBL4125900) Show SMILES CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C22H31N5O3/c1-15(2)14-27(22(29)20-24-18-5-3-4-6-19(18)25-20)17-11-16(12-23-13-17)21(28)26-7-9-30-10-8-26/h3-6,15-17,23H,7-14H2,1-2H3,(H,24,25)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273173 (CHEMBL4129207) Show SMILES COCCCCn1c(cc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N4O4/c1-21(2)20-32(24-16-23(18-29-19-24)27(33)30-11-14-36-15-12-30)28(34)26-17-22-8-4-5-9-25(22)31(26)10-6-7-13-35-3/h4-5,8-9,17,21,23-24,29H,6-7,10-16,18-20H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273170 (CHEMBL4130109) Show SMILES COCCCCc1c(ncn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)20-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)27-26(11-7-8-14-37-3)34(21-31-27)24-9-5-4-6-10-24/h4-6,9-10,21-23,25,30H,7-8,11-20H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273172 (CHEMBL4129865) Show SMILES CCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O3/c1-4-28-21-8-6-5-7-20(21)26-22(28)24(31)29(16-17(2)3)19-13-18(14-25-15-19)23(30)27-9-11-32-12-10-27/h5-8,17-19,25H,4,9-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273199 (CHEMBL4128438) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C22H34N4O2/c1-17(2)16-26(18-9-8-12-23-15-18)22(27)21-24-19-10-4-5-11-20(19)25(21)13-6-7-14-28-3/h4-5,10-11,17-18,23H,6-9,12-16H2,1-3H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273202 (CHEMBL4129081) Show SMILES COCCCCc1c(nnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273196 (CHEMBL4127842) Show SMILES COCCCCc1c(nc2ccccn12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-23(8-5-7-13-35-3)31-10-6-4-9-24(31)29-25/h4,6,9-10,20-22,28H,5,7-8,11-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273171 (CHEMBL4127686) Show SMILES COCCCCc1c(cnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)21-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)26-20-31-34(24-9-5-4-6-10-24)27(26)11-7-8-14-37-3/h4-6,9-10,20,22-23,25,30H,7-8,11-19,21H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273170 (CHEMBL4130109) Show SMILES COCCCCc1c(ncn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)20-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)27-26(11-7-8-14-37-3)34(21-31-27)24-9-5-4-6-10-24/h4-6,9-10,21-23,25,30H,7-8,11-20H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273201 (CHEMBL4126453) Show SMILES COCCCCn1c(nnc1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-34(24-17-23(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-31-30-25(22-9-5-4-6-10-22)33(26)11-7-8-14-37-3/h4-6,9-10,21,23-24,29H,7-8,11-20H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273171 (CHEMBL4127686) Show SMILES COCCCCc1c(cnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)21-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)26-20-31-34(24-9-5-4-6-10-24)27(26)11-7-8-14-37-3/h4-6,9-10,20,22-23,25,30H,7-8,11-19,21H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Macaca mulatta)	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in monkey plasma				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273170 (CHEMBL4130109) Show SMILES COCCCCc1c(ncn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)20-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)27-26(11-7-8-14-37-3)34(21-31-27)24-9-5-4-6-10-24/h4-6,9-10,21-23,25,30H,7-8,11-20H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195781 (CHEMBL3978240) Show SMILES COC(=O)[C@@H]1CNC[C@@H](C1)N(CC(C)C)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C25H37N5O4/c1-16(2)15-30(18-10-17(11-26-12-18)23(32)33-6)22(31)20-14-28-24(25(3,4)5)29-21(20)27-13-19-8-7-9-34-19/h7-9,14,16-18,26H,10-13,15H2,1-6H3,(H,27,28,29)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273171 (CHEMBL4127686) Show SMILES COCCCCc1c(cnn1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H43N5O4/c1-22(2)21-33(25-17-23(18-30-19-25)28(35)32-12-15-38-16-13-32)29(36)26-20-31-34(24-9-5-4-6-10-24)27(26)11-7-8-14-37-3/h4-6,9-10,20,22-23,25,30H,7-8,11-19,21H2,1-3H3/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50458200 (CHEMBL3314031) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 Show InChI InChI=1S/C27H25ClN4O2/c1-3-32-24-7-5-4-6-21(24)22-14-19(10-11-25(22)32)30-26(33)12-17(2)13-27(34)31-20-9-8-18(16-29)23(28)15-20/h4-11,14-15,17H,3,12-13H2,1-2H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)...				Bioorg Med Chem 26: 721-736 (2018) Article DOI: 10.1016/j.bmc.2017.12.039 BindingDB Entry DOI: 10.7270/Q2542R7J
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273172 (CHEMBL4129865) Show SMILES CCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O3/c1-4-28-21-8-6-5-7-20(21)26-22(28)24(31)29(16-17(2)3)19-13-18(14-25-15-19)23(30)27-9-11-32-12-10-27/h5-8,17-19,25H,4,9-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273201 (CHEMBL4126453) Show SMILES COCCCCn1c(nnc1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N6O4/c1-21(2)20-34(24-17-23(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-31-30-25(22-9-5-4-6-10-22)33(26)11-7-8-14-37-3/h4-6,9-10,21,23-24,29H,7-8,11-20H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273203 (CHEMBL4128929) Show SMILES COCCCCn1c(ccc1-c1ccccc1)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H44N4O4/c1-23(2)22-34(26-19-25(20-31-21-26)29(35)32-14-17-38-18-15-32)30(36)28-12-11-27(24-9-5-4-6-10-24)33(28)13-7-8-16-37-3/h4-6,9-12,23,25-26,31H,7-8,13-22H2,1-3H3/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50195785 (CHEMBL3916704) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(N)=O)C(C)(C)C |r| Show InChI InChI=1S/C23H40N6O3/c1-15(2)14-29(17-10-16(19(24)30)11-25-12-17)21(31)18-13-27-22(23(3,4)5)28-20(18)26-8-7-9-32-6/h13,15-17,25H,7-12,14H2,1-6H3,(H2,24,30)(H,26,27,28)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by sub...				ACS Med Chem Lett 7: 933-938 (2016) Article DOI: 10.1021/acsmedchemlett.6b00251 BindingDB Entry DOI: 10.7270/Q2SF2Z3X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273162 (CHEMBL4128795) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(C)(C)O |r| Show InChI InChI=1S/C25H40N4O3/c1-18(2)17-29(20-14-19(15-26-16-20)25(3,4)31)24(30)23-27-21-10-6-7-11-22(21)28(23)12-8-9-13-32-5/h6-7,10-11,18-20,26,31H,8-9,12-17H2,1-5H3/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50273198 (CHEMBL4130200) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@H](CO)C1 |r| Show InChI InChI=1S/C23H36N4O3/c1-17(2)15-27(19-12-18(16-28)13-24-14-19)23(29)22-25-20-8-4-5-9-21(20)26(22)10-6-7-11-30-3/h4-5,8-9,17-19,24,28H,6-7,10-16H2,1-3H3/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair
Renin (Macaca mulatta)	BDBM50273160 (IMARIKIREN) Show SMILES COCCCCn1c(nc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in monkey plasma				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50195782 (CHEMBL3958809) Show SMILES COCCCNc1nc(ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C27H46N6O4/c1-19(2)18-33(21-14-20(15-28-16-21)24(34)32-9-12-37-13-10-32)25(35)22-17-30-26(27(3,4)5)31-23(22)29-8-7-11-36-6/h17,19-21,28H,7-16,18H2,1-6H3,(H,29,30,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50273173 (CHEMBL4129207) Show SMILES COCCCCn1c(cc2ccccc12)C(=O)N(CC(C)C)[C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H42N4O4/c1-21(2)20-32(24-16-23(18-29-19-24)27(33)30-11-14-36-15-12-30)28(34)26-17-22-8-4-5-9-25(22)31(26)10-6-7-13-35-3/h4-5,8-9,17,21,23-24,29H,6-7,10-16,18-20H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins...				Bioorg Med Chem 26: 3261-3286 (2018) Article DOI: 10.1016/j.bmc.2018.04.051 BindingDB Entry DOI: 10.7270/Q2VH5RCG
					More data for this Ligand-Target Pair

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