Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'ishchenko' and Initial = 'a'   

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))	BDBM29957 (piperidine-1-carboxamide, 21t) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C28H45ClFN3O3/c1-31-19-23(18-21-10-4-3-5-11-21)32-27(34)33-16-9-12-22(20-33)28(35,15-6-7-17-36-2)24-13-8-14-25(29)26(24)30/h8,13-14,21-23,31,35H,3-7,9-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,28+/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	0.100	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM29950 (piperidine-1-carboxamide, 21m) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Br)c1 |r| Show InChI InChI=1S/C28H46BrN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/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	0.130	n/a	n/a	n/a	n/a	7.0	22
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM29956 (piperidine-1-carboxamide, 21s) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H45F2N3O3/c1-31-19-23(18-21-10-4-3-5-11-21)32-27(34)33-16-9-12-22(20-33)28(35,15-6-7-17-36-2)24-13-8-14-25(29)26(24)30/h8,13-14,21-23,31,35H,3-7,9-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,28+/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	0.140	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50382333 (CHEMBL2023123) Show SMILES CNC[C@@H](NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)[C@@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C27H43ClN4O5/c1-29-17-23(24(33)19-8-4-3-5-9-19)31-26(34)32-14-7-11-21(18-32)25(20-10-6-12-22(28)16-20)37-15-13-30-27(35)36-2/h6,10,12,16,19,21,23-25,29,33H,3-5,7-9,11,13-15,17-18H2,1-2H3,(H,30,35)(H,31,34)/t21-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305450 (CHEMBL592763 | methyl (S)-4-(3-chlorophenyl)-4-((R...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H45ClN4O4/c1-30-19-25(17-21-9-4-3-5-10-21)32-26(34)33-16-7-12-23(20-33)28(36,14-8-15-31-27(35)37-2)22-11-6-13-24(29)18-22/h6,11,13,18,21,23,25,30,36H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,31,35)(H,32,34)/t23-,25+,28-/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305465 (CHEMBL589647 | methyl 2-((R)-((R)-1-((S)-1-cyclohe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H42F2N4O4/c1-30-17-24(13-19-7-4-3-5-8-19)32-26(34)33-11-6-9-20(18-33)25(37-12-10-31-27(35)36-2)21-14-22(28)16-23(29)15-21/h14-16,19-20,24-25,30H,3-13,17-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,24+,25-/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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50382335 (CHEMBL2024249) Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)NC[C@@H](N)CC1CCCCC1)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C27H43ClFN3O3/c1-35-16-6-5-14-27(34,23-12-7-13-24(28)25(23)29)21-11-8-15-32(19-21)26(33)31-18-22(30)17-20-9-3-2-4-10-20/h7,12-13,20-22,34H,2-6,8-11,14-19,30H2,1H3,(H,31,33)/t21-,22+,27+/m1/s1	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50382334 (CHEMBL1276678) Show SMILES CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50382333 (CHEMBL2023123) Show SMILES CNC[C@@H](NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)[C@@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C27H43ClN4O5/c1-29-17-23(24(33)19-8-4-3-5-9-19)31-26(34)32-14-7-11-21(18-32)25(20-10-6-12-22(28)16-20)37-15-13-30-27(35)36-2/h6,10,12,16,19,21,23-25,29,33H,3-5,7-9,11,13-15,17-18H2,1-2H3,(H,30,35)(H,31,34)/t21-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50382331 (CHEMBL2024248) Show SMILES CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM29949 (piperidine-1-carboxamide, 21l) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	7.0	22
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50382334 (CHEMBL1276678) Show SMILES CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50305454 (CHEMBL591342 | methyl 2-((R)-((R)-1-((S)-1-cyclohe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(C)c1 |r| Show InChI InChI=1S/C28H46N4O4/c1-21-9-7-12-23(17-21)26(36-16-14-30-28(34)35-3)24-13-8-15-32(20-24)27(33)31-25(19-29-2)18-22-10-5-4-6-11-22/h7,9,12,17,22,24-26,29H,4-6,8,10-11,13-16,18-20H2,1-3H3,(H,30,34)(H,31,33)/t24-,25+,26+/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	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM29949 (piperidine-1-carboxamide, 21l) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50305456 (CHEMBL605408 | methyl 2-((R)-((R)-1-((S)-1-amino-3...) Show SMILES COC(=O)NCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H41ClN4O4/c1-34-26(33)29-12-14-35-24(20-9-5-11-22(27)16-20)21-10-6-13-31(18-21)25(32)30-23(17-28)15-19-7-3-2-4-8-19/h5,9,11,16,19,21,23-24H,2-4,6-8,10,12-15,17-18,28H2,1H3,(H,29,33)(H,30,32)/t21-,23+,24+/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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305452 (CHEMBL591578 | methyl 2-((R)-(3-chlorophenyl)((R)-...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H43ClN4O4/c1-29-18-24(16-20-8-4-3-5-9-20)31-26(33)32-14-7-11-22(19-32)25(21-10-6-12-23(28)17-21)36-15-13-30-27(34)35-2/h6,10,12,17,20,22,24-25,29H,3-5,7-9,11,13-16,18-19H2,1-2H3,(H,30,34)(H,31,33)/t22-,24+,25+/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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305452 (CHEMBL591578 | methyl 2-((R)-(3-chlorophenyl)((R)-...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H43ClN4O4/c1-29-18-24(16-20-8-4-3-5-9-20)31-26(33)32-14-7-11-22(19-32)25(21-10-6-12-23(28)17-21)36-15-13-30-27(34)35-2/h6,10,12,17,20,22,24-25,29H,3-5,7-9,11,13-16,18-19H2,1-2H3,(H,30,34)(H,31,33)/t22-,24+,25+/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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50382331 (CHEMBL2024248) Show SMILES CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					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	0.5	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM29949 (piperidine-1-carboxamide, 21l) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50305466 (CHEMBL592765 | methyl 2-((R)-(3-chloro-5-fluorophe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C27H42ClFN4O4/c1-30-17-24(13-19-7-4-3-5-8-19)32-26(34)33-11-6-9-20(18-33)25(37-12-10-31-27(35)36-2)21-14-22(28)16-23(29)15-21/h14-16,19-20,24-25,30H,3-13,17-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,24+,25-/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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiot...				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50382331 (CHEMBL2024248) Show SMILES CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50305457 (CHEMBL591340 | methyl 2-((R)-((R)-1-((S)-1-amino-3...) Show SMILES COC(=O)NCCO[C@H]([C@@H]1CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H41FN4O4/c1-34-26(33)29-12-14-35-24(20-9-5-11-22(27)16-20)21-10-6-13-31(18-21)25(32)30-23(17-28)15-19-7-3-2-4-8-19/h5,9,11,16,19,21,23-24H,2-4,6-8,10,12-15,17-18,28H2,1H3,(H,29,33)(H,30,32)/t21-,23+,24+/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	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50305453 (CHEMBL592762 | methyl 2-((R)-((R)-1-((S)-1-cyclohe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(F)c1 |r| Show InChI InChI=1S/C27H43FN4O4/c1-29-18-24(16-20-8-4-3-5-9-20)31-26(33)32-14-7-11-22(19-32)25(21-10-6-12-23(28)17-21)36-15-13-30-27(34)35-2/h6,10,12,17,20,22,24-25,29H,3-5,7-9,11,13-16,18-19H2,1-2H3,(H,30,34)(H,31,33)/t22-,24+,25+/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	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50305462 (CHEMBL590623 | methyl 2-((R)-(3-chloro-2-fluorophe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C27H42ClFN4O4/c1-30-17-21(16-19-8-4-3-5-9-19)32-26(34)33-14-7-10-20(18-33)25(37-15-13-31-27(35)36-2)22-11-6-12-23(28)24(22)29/h6,11-12,19-21,25,30H,3-5,7-10,13-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,21+,25-/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	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305461 (CHEMBL606238 | methyl 2-((R)-((R)-1-((S)-1-cyclohe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cc(F)ccc1F |r| Show InChI InChI=1S/C27H42F2N4O4/c1-30-17-22(15-19-7-4-3-5-8-19)32-26(34)33-13-6-9-20(18-33)25(37-14-12-31-27(35)36-2)23-16-21(28)10-11-24(23)29/h10-11,16,19-20,22,25,30H,3-9,12-15,17-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,22+,25-/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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50305463 (CHEMBL590388 | methyl 2-((R)-(5-chloro-2-fluorophe...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C27H42ClFN4O4/c1-30-17-22(15-19-7-4-3-5-8-19)32-26(34)33-13-6-9-20(18-33)25(37-14-12-31-27(35)36-2)23-16-21(28)10-11-24(23)29/h10-11,16,19-20,22,25,30H,3-9,12-15,17-18H2,1-2H3,(H,31,35)(H,32,34)/t20-,22+,25-/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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
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	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					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	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasma				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50350915 (CHEMBL1818070) Show SMILES COCCCC[C@](O)([C@H]1CN(CCO1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(c1)C(C)C |r| Show InChI InChI=1S/C31H43ClN2O5/c1-20(2)21-8-6-9-22(16-21)29-24(10-7-11-25(29)32)31(37,12-4-5-14-38-3)28-19-34(13-15-39-28)30(36)23-17-26(33)27(35)18-23/h6-11,16,20,23,26-28,35,37H,4-5,12-15,17-19,33H2,1-3H3/t23-,26+,27-,28+,31+/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM29957 (piperidine-1-carboxamide, 21t) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C28H45ClFN3O3/c1-31-19-23(18-21-10-4-3-5-11-21)32-27(34)33-16-9-12-22(20-33)28(35,15-6-7-17-36-2)24-13-8-14-25(29)26(24)30/h8,13-14,21-23,31,35H,3-7,9-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,28+/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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305452 (CHEMBL591578 | methyl 2-((R)-(3-chlorophenyl)((R)-...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H43ClN4O4/c1-29-18-24(16-20-8-4-3-5-9-20)31-26(33)32-14-7-11-22(19-32)25(21-10-6-12-23(28)17-21)36-15-13-30-27(34)35-2/h6,10,12,17,20,22,24-25,29H,3-5,7-9,11,13-16,18-19H2,1-2H3,(H,30,34)(H,31,33)/t22-,24+,25+/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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasma				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305452 (CHEMBL591578 | methyl 2-((R)-(3-chlorophenyl)((R)-...) Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H43ClN4O4/c1-29-18-24(16-20-8-4-3-5-9-20)31-26(33)32-14-7-11-22(19-32)25(21-10-6-12-23(28)17-21)36-15-13-30-27(34)35-2/h6,10,12,17,20,22,24-25,29H,3-5,7-9,11,13-16,18-19H2,1-2H3,(H,30,34)(H,31,33)/t22-,24+,25+/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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50305458 (CHEMBL591105 | methyl 2-((R)-(3-chlorophenyl)((R)-...) Show SMILES CCNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H45ClN4O4/c1-3-30-19-25(17-21-9-5-4-6-10-21)32-27(34)33-15-8-12-23(20-33)26(22-11-7-13-24(29)18-22)37-16-14-31-28(35)36-2/h7,11,13,18,21,23,25-26,30H,3-6,8-10,12,14-17,19-20H2,1-2H3,(H,31,35)(H,32,34)/t23-,25+,26+/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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM29959 (piperidine-1-carboxamide, 21v) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C28H45ClFN3O3/c1-31-19-26(15-21-9-4-3-5-10-21)32-27(34)33-13-8-11-22(20-33)28(35,12-6-7-14-36-2)23-16-24(29)18-25(30)17-23/h16-18,21-22,26,31,35H,3-15,19-20H2,1-2H3,(H,32,34)/t22-,26+,28+/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50042863 (CHEMBL3354513) Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCNCC1 Show InChI InChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50042871 (CHEMBL3354521) Show SMILES Fc1cccc(F)c1-c1cccc(n1)C(=O)Nc1cnccc1OC1CCNCC1 Show InChI InChI=1S/C22H20F2N4O2/c23-15-3-1-4-16(24)21(15)17-5-2-6-18(27-17)22(29)28-19-13-26-12-9-20(19)30-14-7-10-25-11-8-14/h1-6,9,12-14,25H,7-8,10-11H2,(H,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50042868 (CHEMBL3354518) Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r| Show InChI InChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50042863 (CHEMBL3354513) Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCNCC1 Show InChI InChI=1S/C20H18F2N4O2S/c21-13-2-1-3-14(22)18(13)20-26-16(11-29-20)19(27)25-15-10-24-9-6-17(15)28-12-4-7-23-8-5-12/h1-3,6,9-12,23H,4-5,7-8H2,(H,25,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50042868 (CHEMBL3354518) Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r| Show InChI InChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50042868 (CHEMBL3354518) Show SMILES Nc1sc(nc1C(=O)Nc1cnccc1O[C@H]1CCNC1)-c1c(F)cccc1F |r| Show InChI InChI=1S/C19H17F2N5O2S/c20-11-2-1-3-12(21)15(11)19-26-16(17(22)29-19)18(27)25-13-9-24-7-5-14(13)28-10-4-6-23-8-10/h1-3,5,7,9-10,23H,4,6,8,22H2,(H,25,27)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50042867 (CHEMBL3354517) Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccncc1NC(=O)c1csc(n1)-c1c(F)cccc1F |r,wU:4.7,wD:1.0,(22.36,-34.59,;21.11,-33.68,;21.28,-32.14,;20.03,-31.23,;18.63,-31.87,;18.46,-33.4,;19.7,-34.3,;17.39,-30.97,;17.55,-29.44,;18.95,-28.81,;19.11,-27.27,;17.85,-26.37,;16.45,-27.01,;16.3,-28.53,;14.9,-29.16,;13.65,-28.26,;13.8,-26.73,;12.24,-28.89,;10.91,-28.13,;9.77,-29.16,;10.4,-30.57,;11.93,-30.4,;9.63,-31.9,;10.41,-33.23,;11.95,-33.23,;9.64,-34.58,;8.09,-34.58,;7.32,-33.24,;8.1,-31.91,;7.33,-30.57,)| Show InChI InChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)/t12-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50042866 (CHEMBL3354516) Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OCC1CCOCC1 Show InChI InChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(12-30-21)20(27)25-16-10-24-7-4-18(16)29-11-13-5-8-28-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50042864 (CHEMBL3354514) Show SMILES Fc1cccc(F)c1-c1nc(cs1)C(=O)Nc1cnccc1OC1CCCCC1 Show InChI InChI=1S/C21H19F2N3O2S/c22-14-7-4-8-15(23)19(14)21-26-17(12-29-21)20(27)25-16-11-24-10-9-18(16)28-13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Bioorg Med Chem Lett 25: 474-80 (2015) Article DOI: 10.1016/j.bmcl.2014.12.041 BindingDB Entry DOI: 10.7270/Q2VQ34BW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50382333 (CHEMBL2023123) Show SMILES CNC[C@@H](NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)[C@@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C27H43ClN4O5/c1-29-17-23(24(33)19-8-4-3-5-9-19)31-26(34)32-14-7-11-21(18-32)25(20-10-6-12-22(28)16-20)37-15-13-30-27(35)36-2/h6,10,12,16,19,21,23-25,29,33H,3-5,7-9,11,13-15,17-18H2,1-2H3,(H,30,35)(H,31,34)/t21-,23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50350916 (CHEMBL1818069) Show SMILES CCc1cccc(c1)-c1c(Cl)cccc1[C@](O)(CCCCOC)[C@H]1CN(CCO1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1 |r| Show InChI InChI=1S/C30H41ClN2O5/c1-3-20-8-6-9-21(16-20)28-23(10-7-11-24(28)31)30(36,12-4-5-14-37-2)27-19-33(13-15-38-27)29(35)22-17-25(32)26(34)18-22/h6-11,16,22,25-27,34,36H,3-5,12-15,17-19,32H2,1-2H3/t22-,25+,26-,27+,30+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50382334 (CHEMBL1276678) Show SMILES CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay				ACS Med Chem Lett 2: 747-751 (2011) Article DOI: 10.1021/ml200137x BindingDB Entry DOI: 10.7270/Q2FT8N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)

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