Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50001972   

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))	BDBM50451322 (CHEMBL4210026) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H21N3O/c1-20-11-4-6-14(20)10-13-22-19-18-15-7-2-3-8-16(15)21-12-5-9-17(18)21/h2-3,5,7-9,12,14H,4,6,10-11,13H2,1H3/b19-18+	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451337 (CHEMBL4204601) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42FN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451338 (CHEMBL4207673) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451321 (CHEMBL4211388) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C20H21N3OS/c1-15-14-25-20-18(17-9-6-10-23(17)19(15)20)21-24-12-11-22(2)13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b21-18-	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	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451325 (CHEMBL4202424) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H15N3OS/c1-15(2)7-8-17-14-12-10-4-3-6-16(10)11-5-9-18-13(11)12/h3-6,9H,7-8H2,1-2H3/b14-12-	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	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451314 (CHEMBL4207648) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H16ClN3O/c1-18(2)8-9-20-17-15-12-10-11(16)5-6-13(12)19-7-3-4-14(15)19/h3-7,10H,8-9H2,1-2H3/b17-15+	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451334 (CHEMBL4213138) Show SMILES [H][C@]1(CCCN(C1)C(=O)C[C@H](O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H40FN3O5/c1-3-20-8-4-9-21(16-20)27-24(11-5-12-25(27)30)29(37,13-7-14-32-28(36)38-2)22-10-6-15-33(19-22)26(35)17-23(34)18-31/h4-5,8-9,11-12,16,22-23,34,37H,3,6-7,10,13-15,17-19,31H2,1-2H3,(H,32,36)/t22-,23+,29?/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451318 (CHEMBL4218098) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CNCCO1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C17H21N3OS/c1-12-11-22-17-15(14-6-4-9-20(14)16(12)17)18-21-10-7-13-5-3-8-19(13)2/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3/b18-15-	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451328 (CHEMBL4211697) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-8-4-9-25(20-23)30-27(11-5-12-28(30)33)32(39,15-7-16-35-31(38)40-2)26-10-6-19-36(22-26)29(37)21-24-13-17-34-18-14-24/h4-5,8-9,11-12,20,24,26,34,39H,3,6-7,10,13-19,21-22H2,1-2H3,(H,35,38)/t26-,32?/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451322 (CHEMBL4210026) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H21N3O/c1-20-11-4-6-14(20)10-13-22-19-18-15-7-2-3-8-16(15)21-12-5-9-17(18)21/h2-3,5,7-9,12,14H,4,6,10-11,13H2,1H3/b19-18+	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451319 (CHEMBL4212859) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C16H19N3OS/c1-12-11-21-16-14(13-5-4-8-19(13)15(12)16)17-20-10-9-18-6-2-3-7-18/h4-5,8,11H,2-3,6-7,9-10H2,1H3/b17-14-	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451329 (CHEMBL4212429) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-9-4-11-25(19-23)30-27(13-5-14-28(30)33)32(39,15-8-17-35-31(38)40-2)26-12-7-18-36(22-26)29(37)20-24-10-6-16-34-21-24/h4-5,9,11,13-14,19,24,26,34,39H,3,6-8,10,12,15-18,20-22H2,1-2H3,(H,35,38)/t24?,26-,32?/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451331 (CHEMBL4217145) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-3-22-10-6-11-23(20-22)28-25(13-7-14-26(28)31)30(37,16-9-18-33-29(36)38-2)24-12-8-19-34(21-24)27(35)15-4-5-17-32/h6-7,10-11,13-14,20,24,37H,3-5,8-9,12,15-19,21,32H2,1-2H3,(H,33,36)/t24-,30?/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451317 (CHEMBL4202961) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNCCO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C12H13N3OS/c1-8-7-17-12-10(14-16-6-4-13)9-3-2-5-15(9)11(8)12/h2-3,5,7H,4,6,13H2,1H3/b14-10-	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451340 (CHEMBL4214937) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42ClN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451312 (CHEMBL4209674) Show SMILES [H][C@]1(CCCN(C1)C(=O)NCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H19N3OS/c1-11-10-20-15-13(16-19-9-5-7-17(2)3)12-6-4-8-18(12)14(11)15/h4,6,8,10H,5,7,9H2,1-3H3/b16-13-	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451323 (CHEMBL4215302) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C19H19N3OS/c1-14-13-24-19-17(16-8-5-10-22(16)18(14)19)21-23-11-9-20-12-15-6-3-2-4-7-15/h2-8,10,13,20H,9,11-12H2,1H3/b21-17-	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451337 (CHEMBL4204601) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42FN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451338 (CHEMBL4207673) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451339 (CHEMBL4210995) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/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	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451330 (CHEMBL4217427) Show SMILES [H][C@]1(CCCN(C1)C(=O)NCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H41FN4O4/c1-4-21-9-5-10-22(19-21)26-24(12-6-13-25(26)30)29(37,14-8-15-33-28(36)38-3)23-11-7-18-34(20-23)27(35)32-17-16-31-2/h5-6,9-10,12-13,19,23,31,37H,4,7-8,11,14-18,20H2,1-3H3,(H,32,35)(H,33,36)/t23-,29?/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451326 (CHEMBL4215948) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24-,30?/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451311 (CHEMBL4213141) Show SMILES [H][C@]1(CCCN(C1)C(=O)C1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H13N3O/c14-7-9-17-15-13-10-4-1-2-5-11(10)16-8-3-6-12(13)16/h1-6,8H,7,9,14H2/b15-13+	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451340 (CHEMBL4214937) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42ClN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451325 (CHEMBL4202424) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H15N3OS/c1-15(2)7-8-17-14-12-10-4-3-6-16(10)11-5-9-18-13(11)12/h3-6,9H,7-8H2,1-2H3/b14-12-	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	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451345 (CHEMBL4214743) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@H](N)C(=O)OCc1ccccc1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C37H46FN3O6/c1-3-26-13-7-14-28(23-26)34-30(16-8-17-31(34)38)37(45,20-10-21-40-36(44)46-2)29-15-9-22-41(24-29)33(42)19-18-32(39)35(43)47-25-27-11-5-4-6-12-27/h4-8,11-14,16-17,23,29,32,45H,3,9-10,15,18-22,24-25,39H2,1-2H3,(H,40,44)/t29-,32+,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451321 (CHEMBL4211388) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C20H21N3OS/c1-15-14-25-20-18(17-9-6-10-23(17)19(15)20)21-24-12-11-22(2)13-16-7-4-3-5-8-16/h3-10,14H,11-13H2,1-2H3/b21-18-	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	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451314 (CHEMBL4207648) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H16ClN3O/c1-18(2)8-9-20-17-15-12-10-11(16)5-6-13(12)19-7-3-4-14(15)19/h3-7,10H,8-9H2,1-2H3/b17-15+	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	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451316 (CHEMBL4206425) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C19H19N3OS/c1-21(14-15-6-3-2-4-7-15)11-12-23-20-18-16-8-5-10-22(16)17-9-13-24-19(17)18/h2-10,13H,11-12,14H2,1H3/b20-18-	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	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451328 (CHEMBL4211697) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-8-4-9-25(20-23)30-27(11-5-12-28(30)33)32(39,15-7-16-35-31(38)40-2)26-10-6-19-36(22-26)29(37)21-24-13-17-34-18-14-24/h4-5,8-9,11-12,20,24,26,34,39H,3,6-7,10,13-19,21-22H2,1-2H3,(H,35,38)/t26-,32?/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	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451318 (CHEMBL4218098) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CNCCO1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C17H21N3OS/c1-12-11-22-17-15(14-6-4-9-20(14)16(12)17)18-21-10-7-13-5-3-8-19(13)2/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3/b18-15-	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	24	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451336 (CHEMBL4209602) Show SMILES [H][C@]1(CCCN(C1)C(=O)C1CCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H40FN3O4/c1-3-21-8-4-9-22(18-21)27-25(11-5-12-26(27)31)30(37,14-7-15-33-29(36)38-2)24-10-6-17-34(20-24)28(35)23-13-16-32-19-23/h4-5,8-9,11-12,18,23-24,32,37H,3,6-7,10,13-17,19-20H2,1-2H3,(H,33,36)/t23?,24-,30?/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	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451313 (CHEMBL4209283) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@H](N)C(=O)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C21H23N3OS/c1-16-15-26-21-19(18-10-6-12-24(18)20(16)21)22-25-13-7-11-23(2)14-17-8-4-3-5-9-17/h3-6,8-10,12,15H,7,11,13-14H2,1-2H3/b22-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451319 (CHEMBL4212859) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C16H19N3OS/c1-12-11-21-16-14(13-5-4-8-19(13)15(12)16)17-20-10-9-18-6-2-3-7-18/h4-5,8,11H,2-3,6-7,9-10H2,1H3/b17-14-	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	29	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50451340 (CHEMBL4214937) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42ClN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	34	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli co-expressing CYP-reductase using diethoxyfluorescein as substrate measured after 10 mins by...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	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	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451327 (CHEMBL4204852) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H](O)CCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H40FN3O5/c1-3-20-8-4-9-21(18-20)26-23(11-5-12-24(26)30)29(37,14-7-16-32-28(36)38-2)22-10-6-17-33(19-22)27(35)25(34)13-15-31/h4-5,8-9,11-12,18,22,25,34,37H,3,6-7,10,13-17,19,31H2,1-2H3,(H,32,36)/t22-,25+,29?/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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451329 (CHEMBL4212429) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC1CCCNC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44FN3O4/c1-3-23-9-4-11-25(19-23)30-27(13-5-14-28(30)33)32(39,15-8-17-35-31(38)40-2)26-12-7-18-36(22-26)29(37)20-24-10-6-16-34-21-24/h4-5,9,11,13-14,19,24,26,34,39H,3,6-8,10,12,15-18,20-22H2,1-2H3,(H,35,38)/t24?,26-,32?/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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50451338 (CHEMBL4207673) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C32H44ClN3O4/c1-4-22-9-5-10-23(19-22)29-27(12-6-13-28(29)33)32(39,16-8-17-35-31(38)40-3)25-11-7-18-36(21-25)30(37)24-14-15-26(20-24)34-2/h5-6,9-10,12-13,19,24-26,34,39H,4,7-8,11,14-18,20-21H2,1-3H3,(H,35,38)/t24-,25-,26+,32?/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	49	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli co-expressing CYP-reductase using diethoxyfluorescein as substrate measured after 10 mins by...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451339 (CHEMBL4210995) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H44FN3O5/c1-5-22-10-6-11-23(18-22)29-26(13-7-14-27(29)32)31(38,15-9-16-34-30(37)40-4)24-12-8-17-35(21-24)28(36)19-25(39-3)20-33-2/h6-7,10-11,13-14,18,24-25,33,38H,5,8-9,12,15-17,19-21H2,1-4H3,(H,34,37)/t24-,25?,31?/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	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451317 (CHEMBL4202961) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCNCCO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C12H13N3OS/c1-8-7-17-12-10(14-16-6-4-13)9-3-2-5-15(9)11(8)12/h2-3,5,7H,4,6,13H2,1H3/b14-10-	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	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451315 (CHEMBL4209579) Show SMILES [H][C@]1(CCCN(C1)C(=O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C17H21N3OS/c1-13-12-22-17-15(14-6-5-9-20(14)16(13)17)18-21-11-10-19-7-3-2-4-8-19/h5-6,9,12H,2-4,7-8,10-11H2,1H3/b18-15-	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	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451341 (CHEMBL4217169) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCC1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C33H46FN3O4/c1-3-24-8-4-9-26(22-24)31-28(11-5-12-29(31)34)33(40,17-7-18-36-32(39)41-2)27-10-6-21-37(23-27)30(38)14-13-25-15-19-35-20-16-25/h4-5,8-9,11-12,22,25,27,35,40H,3,6-7,10,13-21,23H2,1-2H3,(H,36,39)/t27-,33?/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	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50451337 (CHEMBL4204601) Show SMILES [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C31H42FN3O4/c1-3-21-8-4-9-22(18-21)28-26(11-5-12-27(28)32)31(38,15-7-16-34-30(37)39-2)24-10-6-17-35(20-24)29(36)23-13-14-25(33)19-23/h4-5,8-9,11-12,18,23-25,38H,3,6-7,10,13-17,19-20,33H2,1-2H3,(H,34,37)/t23-,24-,25+,31?/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	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli co-expressing CYP-reductase using diethoxyfluorescein as substrate measured after 10 mins by...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451324 (CHEMBL4212823) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C15H19N3OS/c1-3-17(4-2)9-10-19-16-14-12-6-5-8-18(12)13-7-11-20-15(13)14/h5-8,11H,3-4,9-10H2,1-2H3/b16-14-	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	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451323 (CHEMBL4215302) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C19H19N3OS/c1-14-13-24-19-17(16-8-5-10-22(16)18(14)19)21-23-11-9-20-12-15-6-3-2-4-7-15/h2-8,10,13,20H,9,11-12H2,1H3/b21-17-	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	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451311 (CHEMBL4213141) Show SMILES [H][C@]1(CCCN(C1)C(=O)C1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C13H13N3O/c14-7-9-17-15-13-10-4-1-2-5-11(10)16-8-3-6-12(13)16/h1-6,8H,7,9,14H2/b15-13+	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	102	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451331 (CHEMBL4217145) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-3-22-10-6-11-23(20-22)28-25(13-7-14-26(28)31)30(37,16-9-18-33-29(36)38-2)24-12-8-19-34(21-24)27(35)15-4-5-17-32/h6-7,10-11,13-14,20,24,37H,3-5,8-9,12,15-19,21,32H2,1-2H3,(H,33,36)/t24-,30?/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	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451330 (CHEMBL4217427) Show SMILES [H][C@]1(CCCN(C1)C(=O)NCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C29H41FN4O4/c1-4-21-9-5-10-22(19-21)26-24(12-6-13-25(26)30)29(37,14-8-15-33-28(36)38-3)23-11-7-18-34(20-23)27(35)32-17-16-31-2/h5-6,9-10,12-13,19,23,31,37H,4,7-8,11,14-18,20H2,1-3H3,(H,32,35)(H,33,36)/t23-,29?/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	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair

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