Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50032426   

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))	BDBM50329018 ((2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c(C)c(O)ccc2n1-c1ccccc1 Show InChI InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50329031 ((2-(5-fluoro-2-methylphenoxy)-5-hydroxy-1-phenyl-1...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1 Show InChI InChI=1S/C26H24FN3O3/c1-17-7-8-18(27)15-23(17)33-26-24(25(32)29-13-11-28-12-14-29)21-16-20(31)9-10-22(21)30(26)19-5-3-2-4-6-19/h2-10,15-16,28,31H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329017 ((2-(3-fluoro-2-methylbenzyl)-5-hydroxy-1-phenyl-1H...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1 Show InChI InChI=1S/C27H26FN3O2/c1-18-19(6-5-9-23(18)28)16-25-26(27(33)30-14-12-29-13-15-30)22-17-21(32)10-11-24(22)31(25)20-7-3-2-4-8-20/h2-11,17,29,32H,12-16H2,1H3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329016 ((2-(3-fluoro-2-methylbenzyl)-6-hydroxy-1-phenyl-1H...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H26FN3O2/c1-18-19(6-5-9-23(18)28)16-25-26(27(33)30-14-12-29-13-15-30)22-11-10-21(32)17-24(22)31(25)20-7-3-2-4-8-20/h2-11,17,29,32H,12-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329043 ((2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-indol-3-...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H24FN3O2/c1-18-11-12-19(27)17-23(18)32-26-24(25(31)29-15-13-28-14-16-29)21-9-5-6-10-22(21)30(26)20-7-3-2-4-8-20/h2-12,17,28H,13-16H2,1H3	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329032 (2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazin...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(ccc2n1-c1ccccc1)C(N)=O Show InChI InChI=1S/C27H25FN4O3/c1-17-7-9-19(28)16-23(17)35-27-24(26(34)31-13-11-30-12-14-31)21-15-18(25(29)33)8-10-22(21)32(27)20-5-3-2-4-6-20/h2-10,15-16,30H,11-14H2,1H3,(H2,29,33)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329047 ((2-(3-fluoro-2-methylbenzyl)-1-phenyl-1H-indol-3-y...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C27H26FN3O/c1-19-20(8-7-12-23(19)28)18-25-26(27(32)30-16-14-29-15-17-30)22-11-5-6-13-24(22)31(25)21-9-3-2-4-10-21/h2-13,29H,14-18H2,1H3	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329045 ((2-(3-fluoro-2-methylphenoxy)-1-phenyl-1H-indol-3-...) Show SMILES Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H24FN3O2/c1-18-21(27)11-7-13-23(18)32-26-24(25(31)29-16-14-28-15-17-29)20-10-5-6-12-22(20)30(26)19-8-3-2-4-9-19/h2-13,28H,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329015 ((2-(3-fluoro-2-methylbenzyl)-6-methoxy-1-phenyl-1H...) Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1 Show InChI InChI=1S/C28H28FN3O2/c1-19-20(7-6-10-24(19)29)17-26-27(28(33)31-15-13-30-14-16-31)23-12-11-22(34-2)18-25(23)32(26)21-8-4-3-5-9-21/h3-12,18,30H,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329044 ((2-(2-fluoro-6-methylphenoxy)-1-phenyl-1H-indol-3-...) Show SMILES Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H24FN3O2/c1-18-8-7-12-21(27)24(18)32-26-23(25(31)29-16-14-28-15-17-29)20-11-5-6-13-22(20)30(26)19-9-3-2-4-10-19/h2-13,28H,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329048 ((2-(2-chloro-6-fluorobenzyl)-1-phenyl-1H-indol-3-y...) Show SMILES Fc1cccc(Cl)c1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H23ClFN3O/c27-21-10-6-11-22(28)20(21)17-24-25(26(32)30-15-13-29-14-16-30)19-9-4-5-12-23(19)31(24)18-7-2-1-3-8-18/h1-12,29H,13-17H2	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329025 ((1-cyclopentyl-2-(3-fluoro-2-methylbenzyl)-1H-indo...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCC1 Show InChI InChI=1S/C26H30FN3O/c1-18-19(7-6-11-22(18)27)17-24-25(26(31)29-15-13-28-14-16-29)21-10-4-5-12-23(21)30(24)20-8-2-3-9-20/h4-7,10-12,20,28H,2-3,8-9,13-17H2,1H3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329038 ((1-phenyl-2-(o-tolyloxy)-1H-indol-3-yl)(piperazin-...) Show SMILES Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N3O2/c1-19-9-5-8-14-23(19)31-26-24(25(30)28-17-15-27-16-18-28)21-12-6-7-13-22(21)29(26)20-10-3-2-4-11-20/h2-14,27H,15-18H2,1H3	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329009 ((2-(3-fluoro-2-methylbenzyl)-6-(2-phenoxyethoxy)-1...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1 Show InChI InChI=1S/C35H34FN3O3/c1-25-26(9-8-14-31(25)36)23-33-34(35(40)38-19-17-37-18-20-38)30-16-15-29(42-22-21-41-28-12-6-3-7-13-28)24-32(30)39(33)27-10-4-2-5-11-27/h2-16,24,37H,17-23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329029 ((2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenyl-1...) Show SMILES COc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1 Show InChI InChI=1S/C27H26FN3O3/c1-18-8-9-19(28)16-24(18)34-27-25(26(32)30-14-12-29-13-15-30)22-11-10-21(33-2)17-23(22)31(27)20-6-4-3-5-7-20/h3-11,16-17,29H,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329013 ((6-(2-(dimethylamino)ethoxy)-2-(5-fluoro-2-methylp...) Show SMILES CN(C)CCOc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1 Show InChI InChI=1S/C30H33FN4O3/c1-21-9-10-22(31)19-27(21)38-30-28(29(36)34-15-13-32-14-16-34)25-12-11-24(37-18-17-33(2)3)20-26(25)35(30)23-7-5-4-6-8-23/h4-12,19-20,32H,13-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329010 ((2-(3-fluoro-2-methylbenzyl)-6-(2-hydroxyethoxy)-1...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H30FN3O3/c1-20-21(6-5-9-25(20)30)18-27-28(29(35)32-14-12-31-13-15-32)24-11-10-23(36-17-16-34)19-26(24)33(27)22-7-3-2-4-8-22/h2-11,19,31,34H,12-18H2,1H3	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329024 ((1-cyclohexyl-2-(3-fluoro-2-methylbenzyl)-1H-indol...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCCC1 Show InChI InChI=1S/C27H32FN3O/c1-19-20(8-7-12-23(19)28)18-25-26(27(32)30-16-14-29-15-17-30)22-11-5-6-13-24(22)31(25)21-9-3-2-4-10-21/h5-8,11-13,21,29H,2-4,9-10,14-18H2,1H3	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329011 ((2-(3-fluoro-2-methylbenzyl)-6-(methylsulfonyl)-1-...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(cc2n1-c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C28H28FN3O3S/c1-19-20(7-6-10-24(19)29)17-26-27(28(33)31-15-13-30-14-16-31)23-12-11-22(36(2,34)35)18-25(23)32(26)21-8-4-3-5-9-21/h3-12,18,30H,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329041 ((2-(3-fluorophenoxy)-1-phenyl-1H-indol-3-yl)(piper...) Show SMILES Fc1cccc(Oc2c(C(=O)N3CCNCC3)c3ccccc3n2-c2ccccc2)c1 Show InChI InChI=1S/C25H22FN3O2/c26-18-7-6-10-20(17-18)31-25-23(24(30)28-15-13-27-14-16-28)21-11-4-5-12-22(21)29(25)19-8-2-1-3-9-19/h1-12,17,27H,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329042 ((2-(2,6-dimethylphenoxy)-1-phenyl-1H-indol-3-yl)(p...) Show SMILES Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C27H27N3O2/c1-19-9-8-10-20(2)25(19)32-27-24(26(31)29-17-15-28-16-18-29)22-13-6-7-14-23(22)30(27)21-11-4-3-5-12-21/h3-14,28H,15-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329039 ((1-phenyl-2-(o-tolylthio)-1H-indol-3-yl)(piperazin...) Show SMILES Cc1ccccc1Sc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N3OS/c1-19-9-5-8-14-23(19)31-26-24(25(30)28-17-15-27-16-18-28)21-12-6-7-13-22(21)29(26)20-10-3-2-4-11-20/h2-14,27H,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329008 ((7-fluoro-2-(3-fluoro-2-methylbenzyl)-1-phenyl-1H-...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccc(F)c2n1-c1ccccc1 Show InChI InChI=1S/C27H25F2N3O/c1-18-19(7-5-11-22(18)28)17-24-25(27(33)31-15-13-30-14-16-31)21-10-6-12-23(29)26(21)32(24)20-8-3-2-4-9-20/h2-12,30H,13-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329046 ((2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)m...) Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50329012 (2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazin...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(cc2n1-c1ccccc1)C(O)=O Show InChI InChI=1S/C27H24FN3O4/c1-17-7-9-19(28)16-23(17)35-26-24(25(32)30-13-11-29-12-14-30)21-10-8-18(27(33)34)15-22(21)31(26)20-5-3-2-4-6-20/h2-10,15-16,29H,11-14H2,1H3,(H,33,34)	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	122	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329014 (2-(2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(pipera...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(OCC(O)=O)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H26FN3O5/c1-18-7-8-19(29)15-24(18)37-28-26(27(35)31-13-11-30-12-14-31)22-10-9-21(36-17-25(33)34)16-23(22)32(28)20-5-3-2-4-6-20/h2-10,15-16,30H,11-14,17H2,1H3,(H,33,34)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329022 ((1-(2-(3-methoxypropoxy)phenyl)-2-phenoxy-1H-indol...) Show SMILES COCCCOc1ccccc1-n1c(Oc2ccccc2)c(C(=O)N2CCNCC2)c2ccccc12 |(14.13,-12.49,;15.16,-11.34,;16.66,-11.66,;17.7,-10.52,;19.2,-10.84,;20.23,-9.7,;21.74,-10.02,;22.21,-11.48,;23.72,-11.8,;24.75,-10.65,;24.27,-9.19,;22.77,-8.87,;22.3,-7.41,;23.21,-6.16,;24.75,-6.16,;25.51,-7.49,;24.72,-8.81,;25.48,-10.15,;27.02,-10.16,;27.8,-8.82,;27.03,-7.49,;22.3,-4.9,;22.77,-3.44,;21.74,-2.29,;24.28,-3.12,;25.3,-4.26,;26.8,-3.95,;27.28,-2.48,;26.25,-1.34,;24.74,-1.65,;20.82,-5.38,;19.49,-4.62,;18.16,-5.39,;18.16,-6.93,;19.49,-7.71,;20.82,-6.93,)| Show InChI InChI=1S/C29H31N3O4/c1-34-20-9-21-35-26-15-8-7-14-25(26)32-24-13-6-5-12-23(24)27(28(33)31-18-16-30-17-19-31)29(32)36-22-10-3-2-4-11-22/h2-8,10-15,30H,9,16-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329028 ((2-(3-fluoro-2-methylbenzyl)-1-(6-methoxypyridin-3...) Show SMILES COc1ccc(cn1)-n1c(Cc2cccc(F)c2C)c(C(=O)N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C27H27FN4O2/c1-18-19(6-5-8-22(18)28)16-24-26(27(33)31-14-12-29-13-15-31)21-7-3-4-9-23(21)32(24)20-10-11-25(34-2)30-17-20/h3-11,17,29H,12-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329034 ((2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)...) Show SMILES O=C(N1CCNCC1)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50329037 ((2-(2-methoxyphenoxy)-1-phenyl-1H-indol-3-yl)(pipe...) Show SMILES COc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N3O3/c1-31-22-13-7-8-14-23(22)32-26-24(25(30)28-17-15-27-16-18-28)20-11-5-6-12-21(20)29(26)19-9-3-2-4-10-19/h2-14,27H,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329021 ((1-(4-fluorophenyl)-2-phenoxy-1H-indol-3-yl)(piper...) Show SMILES Fc1ccc(cc1)-n1c(Oc2ccccc2)c(C(=O)N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C25H22FN3O2/c26-18-10-12-19(13-11-18)29-22-9-5-4-8-21(22)23(24(30)28-16-14-27-15-17-28)25(29)31-20-6-2-1-3-7-20/h1-13,27H,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329026 ((2-(3-fluoro-2-methylbenzyl)-1-(tetrahydro-2H-pyra...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCOCC1 Show InChI InChI=1S/C26H30FN3O2/c1-18-19(5-4-7-22(18)27)17-24-25(26(31)29-13-11-28-12-14-29)21-6-2-3-8-23(21)30(24)20-9-15-32-16-10-20/h2-8,20,28H,9-17H2,1H3	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	752	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329023 ((1-(3-(3-methoxypropoxy)phenyl)-2-phenoxy-1H-indol...) Show SMILES COCCCOc1cccc(c1)-n1c(Oc2ccccc2)c(C(=O)N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C29H31N3O4/c1-34-19-8-20-35-24-12-7-9-22(21-24)32-26-14-6-5-13-25(26)27(28(33)31-17-15-30-16-18-31)29(32)36-23-10-3-2-4-11-23/h2-7,9-14,21,30H,8,15-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	763	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329040 ((1-phenyl-2-(m-tolyloxy)-1H-indol-3-yl)(piperazin-...) Show SMILES Cc1cccc(Oc2c(C(=O)N3CCNCC3)c3ccccc3n2-c2ccccc2)c1 Show InChI InChI=1S/C26H25N3O2/c1-19-8-7-11-21(18-19)31-26-24(25(30)28-16-14-27-15-17-28)22-12-5-6-13-23(22)29(26)20-9-3-2-4-10-20/h2-13,18,27H,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329030 ((2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenyl-1...) Show SMILES COc1ccc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c2c1)-c1ccccc1 Show InChI InChI=1S/C27H26FN3O3/c1-18-8-9-19(28)16-24(18)34-27-25(26(32)30-14-12-29-13-15-30)22-17-21(33-2)10-11-23(22)31(27)20-6-4-3-5-7-20/h3-11,16-17,29H,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329052 (CHEMBL1270872 | rac-(3-(hydroxymethyl)piperazin-1-...) Show SMILES OCC1CN(CCN1)C(=O)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H25N3O3/c30-18-19-17-28(16-15-27-19)25(31)24-22-13-7-8-14-23(22)29(20-9-3-1-4-10-20)26(24)32-21-11-5-2-6-12-21/h1-14,19,27,30H,15-18H2	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329035 ((2-(methyl(phenyl)amino)-1-phenyl-1H-indol-3-yl)(p...) Show SMILES CN(c1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H26N4O/c1-28(20-10-4-2-5-11-20)25-24(26(31)29-18-16-27-17-19-29)22-14-8-9-15-23(22)30(25)21-12-6-3-7-13-21/h2-15,27H,16-19H2,1H3	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	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329019 ((1,4-diazepan-1-yl)(2-phenoxy-1-phenyl-1H-indol-3-...) Show SMILES O=C(N1CCCNCC1)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H25N3O2/c30-25(28-18-9-16-27-17-19-28)24-22-14-7-8-15-23(22)29(20-10-3-1-4-11-20)26(24)31-21-12-5-2-6-13-21/h1-8,10-15,27H,9,16-19H2	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	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329033 ((1-phenyl-2-(piperidin-1-yl)-1H-indol-3-yl)(pipera...) Show SMILES O=C(N1CCNCC1)c1c(N2CCCCC2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H28N4O/c29-24(27-17-13-25-14-18-27)22-20-11-5-6-12-21(20)28(19-9-3-1-4-10-19)23(22)26-15-7-2-8-16-26/h1,3-6,9-12,25H,2,7-8,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329051 (CHEMBL1270771 | rac-(2-benzylpiperazin-1-yl)(2-phe...) Show SMILES O=C(N1CCNCC1Cc1ccccc1)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C32H29N3O2/c36-31(34-21-20-33-23-26(34)22-24-12-4-1-5-13-24)30-28-18-10-11-19-29(28)35(25-14-6-2-7-15-25)32(30)37-27-16-8-3-9-17-27/h1-19,26,33H,20-23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329020 ((2-phenoxy-1-(pyridin-2-yl)-1H-indol-3-yl)(piperaz...) Show SMILES O=C(N1CCNCC1)c1c(Oc2ccccc2)n(-c2ccccn2)c2ccccc12 Show InChI InChI=1S/C24H22N4O2/c29-23(27-16-14-25-15-17-27)22-19-10-4-5-11-20(19)28(21-12-6-7-13-26-21)24(22)30-18-8-2-1-3-9-18/h1-13,25H,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50329049 (CHEMBL1270669 | rac-(3-methylpiperazin-1-yl)(2-phe...) Show SMILES CC1CN(CCN1)C(=O)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H25N3O2/c1-19-18-28(17-16-27-19)25(30)24-22-14-8-9-15-23(22)29(20-10-4-2-5-11-20)26(24)31-21-12-6-3-7-13-21/h2-15,19,27H,16-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329050 ((3,3-dimethylpiperazin-1-yl)(2-phenoxy-1-phenyl-1H...) Show SMILES CC1(C)CN(CCN1)C(=O)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H27N3O2/c1-27(2)19-29(18-17-28-27)25(31)24-22-15-9-10-16-23(22)30(20-11-5-3-6-12-20)26(24)32-21-13-7-4-8-14-21/h3-16,28H,17-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329036 ((1-phenyl-2-(3-(trifluoromethyl)phenoxy)-1H-indol-...) Show SMILES FC(F)(F)c1cccc(Oc2c(C(=O)N3CCNCC3)c3ccccc3n2-c2ccccc2)c1 Show InChI InChI=1S/C26H22F3N3O2/c27-26(28,29)18-7-6-10-20(17-18)34-25-23(24(33)31-15-13-30-14-16-31)21-11-4-5-12-22(21)32(25)19-8-2-1-3-9-19/h1-12,17,30H,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50329027 ((2-(3-fluoro-2-methylbenzyl)-1-(6-hydroxypyridin-3...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C26H25FN4O2/c1-17-18(5-4-7-21(17)27)15-23-25(26(33)30-13-11-28-12-14-30)20-6-2-3-8-22(20)31(23)19-9-10-24(32)29-16-19/h2-10,16,28H,11-15H2,1H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)