Found 141 hits with Last Name = 'flaherty' and Initial = 'pt' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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) |
Renin
(Homo sapiens (Human)) | BDBM50350922
(CHEMBL1818063)Show SMILES COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H40ClN3O5/c1-19-7-3-8-20(15-19)27-23(10-4-11-24(27)31)30(38,12-6-13-33-29(37)39-2)22-9-5-14-34(18-22)28(36)21-16-25(32)26(35)17-21/h3-4,7-8,10-11,15,21-22,25-26,35,38H,5-6,9,12-14,16-18,32H2,1-2H3,(H,33,37)/t21-,22+,25+,26-,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 | 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)) | BDBM50305455
(CHEMBL591341 | 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)c1ccccc1 |r| Show InChI InChI=1S/C27H44N4O4/c1-28-19-24(18-21-10-5-3-6-11-21)30-26(32)31-16-9-14-23(20-31)25(22-12-7-4-8-13-22)35-17-15-29-27(33)34-2/h4,7-8,12-13,21,23-25,28H,3,5-6,9-11,14-20H2,1-2H3,(H,29,33)(H,30,32)/t23-,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 | 1.17 | 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 | 1.20 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50350936
(CHEMBL1818049)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1Oc1ccccc1C |r| Show InChI InChI=1S/C30H41FN2O5/c1-20-9-3-4-13-27(20)38-28-23(11-7-12-24(28)31)30(36,14-5-6-16-37-2)22-10-8-15-33(19-22)29(35)21-17-25(32)26(34)18-21/h3-4,7,9,11-13,21-22,25-26,34,36H,5-6,8,10,14-19,32H2,1-2H3/t21-,22+,25+,26-,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 | 1.20 | 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)) | BDBM50305441
((3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(C)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H45ClN4O3/c1-21(34)31-15-8-14-28(36,23-11-6-13-25(29)18-23)24-12-7-16-33(20-24)27(35)32-26(19-30-2)17-22-9-4-3-5-10-22/h6,11,13,18,22,24,26,30,36H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,31,34)(H,32,35)/t24-,26+,28-/m1/s1 | 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 | 1.30 | 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)) | BDBM50350930
(CHEMBL1818055)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H41FN2O4/c1-20-8-5-9-21(16-20)28-24(11-6-12-25(28)31)30(36,13-3-4-15-37-2)23-10-7-14-33(19-23)29(35)22-17-26(32)27(34)18-22/h5-6,8-9,11-12,16,22-23,26-27,34,36H,3-4,7,10,13-15,17-19,32H2,1-2H3/t22-,23+,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 | 1.40 | 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 (docked) |
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 | 1.5 | 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)) | BDBM50305442
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-propiona...)Show SMILES CCC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H47ClN4O3/c1-3-27(35)32-16-9-15-29(37,23-12-7-14-25(30)19-23)24-13-8-17-34(21-24)28(36)33-26(20-31-2)18-22-10-5-4-6-11-22/h7,12,14,19,22,24,26,31,37H,3-6,8-11,13,15-18,20-21H2,1-2H3,(H,32,35)(H,33,36)/t24-,26+,29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.5 | 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)) | BDBM50350923
(CHEMBL1818062)Show SMILES COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H40FN3O5/c1-19-7-3-8-20(15-19)27-23(10-4-11-24(27)31)30(38,12-6-13-33-29(37)39-2)22-9-5-14-34(18-22)28(36)21-16-25(32)26(35)17-21/h3-4,7-8,10-11,15,21-22,25-26,35,38H,5-6,9,12-14,16-18,32H2,1-2H3,(H,33,37)/t21-,22+,25+,26-,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 | 1.60 | 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 (docked) |
Renin
(Homo sapiens (Human)) | BDBM50350927
(CHEMBL1818058)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H41ClN2O4/c1-20-8-5-9-21(16-20)28-24(11-6-12-25(28)31)30(36,13-3-4-15-37-2)23-10-7-14-33(19-23)29(35)22-17-26(32)27(34)18-22/h5-6,8-9,11-12,16,22-23,26-27,34,36H,3-4,7,10,13-15,17-19,32H2,1-2H3/t22-,23+,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 | 1.60 | 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 (docked) |
Renin
(Homo sapiens (Human)) | BDBM50350921
(CHEMBL1818064)Show SMILES CC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H40FN3O4/c1-19-7-3-8-21(15-19)28-24(10-4-11-25(28)31)30(38,12-6-13-33-20(2)35)23-9-5-14-34(18-23)29(37)22-16-26(32)27(36)17-22/h3-4,7-8,10-11,15,22-23,26-27,36,38H,5-6,9,12-14,16-18,32H2,1-2H3,(H,33,35)/t22-,23+,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 | 1.60 | 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)) | BDBM50305460
(CHEMBL590868 | 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)c1F |r| Show InChI InChI=1S/C27H42F2N4O4/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 | 1.70 | 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 | 1.80 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50350918
(CHEMBL1818067)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(C)c1 |r| Show InChI InChI=1S/C29H39ClN2O5/c1-19-7-5-8-20(15-19)27-22(9-6-10-23(27)30)29(35,11-3-4-13-36-2)26-18-32(12-14-37-26)28(34)21-16-24(31)25(33)17-21/h5-10,15,21,24-26,33,35H,3-4,11-14,16-18,31H2,1-2H3/t21-,24+,25-,26+,29+/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 | 1.80 | 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)) | BDBM50350926
(CHEMBL1818059)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H38ClFN2O4/c1-37-14-3-2-12-29(36,23-10-5-11-24(31)27(23)19-7-4-9-22(30)15-19)21-8-6-13-33(18-21)28(35)20-16-25(32)26(34)17-20/h4-5,7,9-11,15,20-21,25-26,34,36H,2-3,6,8,12-14,16-18,32H2,1H3/t20-,21+,25+,26-,29-/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 | 1.90 | 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 (docked) |
Renin
(Homo sapiens (Human)) | BDBM50350920
(CHEMBL1818065)Show SMILES CC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H40ClN3O4/c1-19-7-3-8-21(15-19)28-24(10-4-11-25(28)31)30(38,12-6-13-33-20(2)35)23-9-5-14-34(18-23)29(37)22-16-26(32)27(36)17-22/h3-4,7-8,10-11,15,22-23,26-27,36,38H,5-6,9,12-14,16-18,32H2,1-2H3,(H,33,35)/t22-,23+,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 | 2.10 | 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)) | 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 | 2.10 | 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)) | BDBM50350931
(CHEMBL1818054)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H39ClN2O4/c1-36-15-5-4-13-29(35,25-12-3-2-11-24(25)20-8-6-10-23(30)16-20)22-9-7-14-32(19-22)28(34)21-17-26(31)27(33)18-21/h2-3,6,8,10-12,16,21-22,26-27,33,35H,4-5,7,9,13-15,17-19,31H2,1H3/t21-,22+,26+,27-,29-/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 | 2.10 | 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 | 3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50305459
(CHEMBL591104 | methyl 2-((R)-((R)-1-((S)-1-cyclohe...)Show SMILES CCNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H45FN4O4/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 | 2.10 | 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)) | BDBM50350914
(CHEMBL1818071)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(SC)c1 |r| Show InChI InChI=1S/C29H39ClN2O5S/c1-36-13-4-3-11-29(35,22-9-6-10-23(30)27(22)19-7-5-8-21(15-19)38-2)26-18-32(12-14-37-26)28(34)20-16-24(31)25(33)17-20/h5-10,15,20,24-26,33,35H,3-4,11-14,16-18,31H2,1-2H3/t20-,24+,25-,26+,29+/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 | 2.30 | 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)) | BDBM29945
(piperidine-1-carboxamide, 21h)Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(C)c1 |r| Show InChI InChI=1S/C29H49N3O3/c1-23-11-9-14-25(19-23)29(34,16-7-8-18-35-3)26-15-10-17-32(22-26)28(33)31-27(21-30-2)20-24-12-5-4-6-13-24/h9,11,14,19,24,26-27,30,34H,4-8,10,12-13,15-18,20-22H2,1-3H3,(H,31,33)/t26-,27+,29-/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 | 2.5 | 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)) | BDBM50305464
(CHEMBL590866 | 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)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C27H42F2N4O4/c1-30-17-22(15-19-7-4-3-5-8-19)32-26(34)33-13-6-9-21(18-33)25(37-14-12-31-27(35)36-2)20-10-11-23(28)24(29)16-20/h10-11,16,19,21-22,25,30H,3-9,12-15,17-18H2,1-2H3,(H,31,35)(H,32,34)/t21-,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 | 2.5 | 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)) | BDBM50350917
(CHEMBL1818068)Show SMILES CCc1cccc(c1)-c1c(F)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/C30H41FN2O5/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 | 2.5 | 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 | |
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 | 2.60 | 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)) | 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
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| Article PubMed
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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 | |