Found 57 hits of Enzyme Inhibition Constant Data 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)) | 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)) | 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)) | 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)) | 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)) | 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 |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | 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)) | 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 | 2.90 | 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)) | 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 | 3.30 | 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)) | 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 | 3.40 | 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)) | 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 | 3.70 | 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)) | 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 | 4 | 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)) | 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 | 6.20 | 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)) | 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 | 7.70 | 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)) | 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 | 13 | 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)) | BDBM50305451
(CHEMBL591579 | ethyl (S)-4-(3-chlorophenyl)-4-((R)...)Show SMILES CCOC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H47ClN4O4/c1-3-38-28(36)32-16-9-15-29(37,23-12-7-14-25(30)19-23)24-13-8-17-34(21-24)27(35)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,32,36)(H,33,35)/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 | 14 | 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)) | 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 | 16 | 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)) | 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 | 16.6 | 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)) | BDBM50305444
((R)-3-((S)-1-(3-chlorophenyl)-4-(cyclopropanecarbo...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)C1CC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H47ClN4O3/c1-32-20-27(18-22-8-3-2-4-9-22)34-29(37)35-17-6-11-25(21-35)30(38,24-10-5-12-26(31)19-24)15-7-16-33-28(36)23-13-14-23/h5,10,12,19,22-23,25,27,32,38H,2-4,6-9,11,13-18,20-21H2,1H3,(H,33,36)(H,34,37)/t25-,27+,30-/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 | 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)) | 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 | 18 | 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)) | 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 | 21 | 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)) | BDBM29940
(piperidine-1-carboxamide, 21c)Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H44ClN3O3/c1-29-19-25(17-21-9-3-2-4-10-21)30-26(33)31-15-8-12-23(20-31)27(34,14-5-6-16-32)22-11-7-13-24(28)18-22/h7,11,13,18,21,23,25,29,32,34H,2-6,8-10,12,14-17,19-20H2,1H3,(H,30,33)/t23-,25+,27-/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 | 21 | 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)) | BDBM50305446
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-ureidobu...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H44ClN5O3/c1-30-18-24(16-20-8-3-2-4-9-20)32-26(35)33-15-6-11-22(19-33)27(36,13-7-14-31-25(29)34)21-10-5-12-23(28)17-21/h5,10,12,17,20,22,24,30,36H,2-4,6-9,11,13-16,18-19H2,1H3,(H,32,35)(H3,29,31,34)/t22-,24+,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 | 31 | 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)) | BDBM29934
(piperidine-1-carboxamide, 7h)Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r| Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,27+/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 | 40 | 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)) | BDBM50305447
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(3-methy...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)NC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN5O3/c1-30-19-25(17-21-9-4-3-5-10-21)33-27(36)34-16-7-12-23(20-34)28(37,14-8-15-32-26(35)31-2)22-11-6-13-24(29)18-22/h6,11,13,18,21,23,25,30,37H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,33,36)(H2,31,32,35)/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 | 46 | 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)) | BDBM50305449
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamo...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNS(N)(=O)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H44ClN5O4S/c1-29-18-24(16-20-8-3-2-4-9-20)31-25(33)32-15-6-11-22(19-32)26(34,13-7-14-30-37(28,35)36)21-10-5-12-23(27)17-21/h5,10,12,17,20,22,24,29-30,34H,2-4,6-9,11,13-16,18-19H2,1H3,(H,31,33)(H2,28,35,36)/t22-,24+,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 | 46 | 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)) | BDBM50305443
((R)-3-((S)-4-butyramido-1-(3-chlorophenyl)-1-hydro...)Show SMILES CCCC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H49ClN4O3/c1-3-10-28(36)33-17-9-16-30(38,24-13-7-15-26(31)20-24)25-14-8-18-35(22-25)29(37)34-27(21-32-2)19-23-11-5-4-6-12-23/h7,13,15,20,23,25,27,32,38H,3-6,8-12,14,16-19,21-22H2,1-2H3,(H,33,36)(H,34,37)/t25-,27+,30-/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 | 57 | 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)) | BDBM50305444
((R)-3-((S)-1-(3-chlorophenyl)-4-(cyclopropanecarbo...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)C1CC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H47ClN4O3/c1-32-20-27(18-22-8-3-2-4-9-22)34-29(37)35-17-6-11-25(21-35)30(38,24-10-5-12-26(31)19-24)15-7-16-33-28(36)23-13-14-23/h5,10,12,19,22-23,25,27,32,38H,2-4,6-9,11,13-18,20-21H2,1H3,(H,33,36)(H,34,37)/t25-,27+,30-/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 | 79 | 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)) | BDBM50305447
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(3-methy...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)NC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN5O3/c1-30-19-25(17-21-9-4-3-5-10-21)33-27(36)34-16-7-12-23(20-34)28(37,14-8-15-32-26(35)31-2)22-11-6-13-24(29)18-22/h6,11,13,18,21,23,25,30,37H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,33,36)(H2,31,32,35)/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 | 141 | 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)) | BDBM50305451
(CHEMBL591579 | ethyl (S)-4-(3-chlorophenyl)-4-((R)...)Show SMILES CCOC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H47ClN4O4/c1-3-38-28(36)32-16-9-15-29(37,23-12-7-14-25(30)19-23)24-13-8-17-34(21-24)27(35)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,32,36)(H,33,35)/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 | 170 | 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)) | BDBM50305445
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(methyls...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNS(C)(=O)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H45ClN4O4S/c1-29-19-25(17-21-9-4-3-5-10-21)31-26(33)32-16-7-12-23(20-32)27(34,14-8-15-30-37(2,35)36)22-11-6-13-24(28)18-22/h6,11,13,18,21,23,25,29-30,34H,3-5,7-10,12,14-17,19-20H2,1-2H3,(H,31,33)/t23-,25+,27-/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 | 177 | 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)) | BDBM50305446
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-ureidobu...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H44ClN5O3/c1-30-18-24(16-20-8-3-2-4-9-20)32-26(35)33-15-6-11-22(19-33)27(36,13-7-14-31-25(29)34)21-10-5-12-23(28)17-21/h5,10,12,17,20,22,24,30,36H,2-4,6-9,11,13-16,18-19H2,1H3,(H,32,35)(H3,29,31,34)/t22-,24+,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 | 200 | 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)) | BDBM50305449
((R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamo...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNS(N)(=O)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H44ClN5O4S/c1-29-18-24(16-20-8-3-2-4-9-20)31-25(33)32-15-6-11-22(19-32)26(34,13-7-14-30-37(28,35)36)21-10-5-12-23(27)17-21/h5,10,12,17,20,22,24,29-30,34H,2-4,6-9,11,13-16,18-19H2,1H3,(H,31,33)(H2,28,35,36)/t22-,24+,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 | 297 | 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)) | BDBM29940
(piperidine-1-carboxamide, 21c)Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCO)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H44ClN3O3/c1-29-19-25(17-21-9-3-2-4-10-21)30-26(33)31-15-8-12-23(20-31)27(34,14-5-6-16-32)22-11-7-13-24(28)18-22/h7,11,13,18,21,23,25,29,32,34H,2-6,8-10,12,14-17,19-20H2,1H3,(H,30,33)/t23-,25+,27-/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 | 315 | 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)) | BDBM29934
(piperidine-1-carboxamide, 7h)Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r| Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,27+/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 | 447 | 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)) | BDBM50305448
((R)-3-((S)-1-(3-chlorophenyl)-4-(3,3-dimethylureid...)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCNC(=O)N(C)C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H48ClN5O3/c1-31-20-26(18-22-10-5-4-6-11-22)33-28(37)35-17-8-13-24(21-35)29(38,23-12-7-14-25(30)19-23)15-9-16-32-27(36)34(2)3/h7,12,14,19,22,24,26,31,38H,4-6,8-11,13,15-18,20-21H2,1-3H3,(H,32,36)(H,33,37)/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 | 2.26E+3 | 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) |
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