Found 35 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50350938
(CHEMBL1818047)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1Oc1ccccc1C |r| Show InChI InChI=1S/C30H42N2O5/c1-21-10-3-5-13-27(21)37-28-14-6-4-12-24(28)30(35,15-7-8-17-36-2)23-11-9-16-32(20-23)29(34)22-18-25(31)26(33)19-22/h3-6,10,12-14,22-23,25-26,33,35H,7-9,11,15-20,31H2,1-2H3/t22-,23+,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 | 2.70 | 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)) | BDBM50350925
(CHEMBL1818060)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(Cl)c1 |r| Show InChI InChI=1S/C29H38Cl2N2O4/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 | 3.70 | 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)) | BDBM50350919
(CHEMBL1818066)Show SMILES COCCCC[C@](O)([C@H]1CN(CCO1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(F)c1-c1cccc(C)c1 |r| Show InChI InChI=1S/C29H39FN2O5/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 | 3.80 | 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)) | BDBM50350924
(CHEMBL1818061)Show SMILES COC(=O)NCCO[C@H]([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/C29H38FN3O5/c1-18-6-3-7-19(14-18)26-22(9-4-10-23(26)30)27(38-13-11-32-29(36)37-2)20-8-5-12-33(17-20)28(35)21-15-24(31)25(34)16-21/h3-4,6-7,9-10,14,20-21,24-25,27,34H,5,8,11-13,15-17,31H2,1-2H3,(H,32,36)/t20-,21+,24-,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 | 5.20 | 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)) | BDBM50350929
(CHEMBL1818056)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccc(F)cc1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H41FN2O4/c1-20-7-5-8-21(15-20)25-18-24(31)10-11-26(25)30(36,12-3-4-14-37-2)23-9-6-13-33(19-23)29(35)22-16-27(32)28(34)17-22/h5,7-8,10-11,15,18,22-23,27-28,34,36H,3-4,6,9,12-14,16-17,19,32H2,1-2H3/t22-,23+,27+,28-,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 | 7.10 | 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)) | BDBM50350946
(CHEMBL1818039)Show SMILES CNC[C@H](CC(C)C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C31H47N3O4/c1-24(2)21-26(22-32-3)33-30(35)34-19-12-13-25(23-34)31(36,18-10-11-20-37-4)28-16-8-9-17-29(28)38-27-14-6-5-7-15-27/h5-9,14-17,24-26,32,36H,10-13,18-23H2,1-4H3,(H,33,35)/t25-,26+,31+/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 | 8.80 | 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)) | BDBM50350933
(CHEMBL1818052)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H42N2O4/c1-21-9-7-10-22(17-21)25-12-3-4-13-26(25)30(35,14-5-6-16-36-2)24-11-8-15-32(20-24)29(34)23-18-27(31)28(33)19-23/h3-4,7,9-10,12-13,17,23-24,27-28,33,35H,5-6,8,11,14-16,18-20,31H2,1-2H3/t23-,24+,27+,28-,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 | 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)) | BDBM50350937
(CHEMBL1818048)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1)c1ccccc1Oc1ccccc1C |r| Show InChI InChI=1S/C30H42N2O5/c1-21-10-3-5-13-27(21)37-28-14-6-4-12-24(28)30(35,15-7-8-17-36-2)23-11-9-16-32(20-23)29(34)22-18-25(31)26(33)19-22/h3-6,10,12-14,22-23,25-26,33,35H,7-9,11,15-20,31H2,1-2H3/t22-,23+,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 | 11 | 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)) | BDBM50350939
(CHEMBL1818046)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)c1ccccc1Oc1ccccc1C |r| Show InChI InChI=1S/C30H42N2O4/c1-22-10-3-5-13-27(22)36-28-14-6-4-12-26(28)30(34,17-7-8-19-35-2)24-11-9-18-32(21-24)29(33)23-15-16-25(31)20-23/h3-6,10,12-14,23-25,34H,7-9,11,15-21,31H2,1-2H3/t23-,24-,25+,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 | 19 | 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)) | BDBM50350932
(CHEMBL1818053)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C30H42N2O4/c1-21-11-13-22(14-12-21)25-9-3-4-10-26(25)30(35,15-5-6-17-36-2)24-8-7-16-32(20-24)29(34)23-18-27(31)28(33)19-23/h3-4,9-14,23-24,27-28,33,35H,5-8,15-20,31H2,1-2H3/t23-,24+,27+,28-,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 | 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 |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50350934
(CHEMBL1818051)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1ccccc1C |r| Show InChI InChI=1S/C30H42N2O4/c1-21-10-3-4-12-24(21)25-13-5-6-14-26(25)30(35,15-7-8-17-36-2)23-11-9-16-32(20-23)29(34)22-18-27(31)28(33)19-22/h3-6,10,12-14,22-23,27-28,33,35H,7-9,11,15-20,31H2,1-2H3/t22-,23+,27+,28-,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 | 23 | 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)) | BDBM50350935
(CHEMBL1818050)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H40N2O4/c1-35-17-8-7-15-29(34,25-14-6-5-13-24(25)21-10-3-2-4-11-21)23-12-9-16-31(20-23)28(33)22-18-26(30)27(32)19-22/h2-6,10-11,13-14,22-23,26-27,32,34H,7-9,12,15-20,30H2,1H3/t22-,23+,26+,27-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 37 | 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)) | BDBM50350944
(CHEMBL1818041)Show SMILES CNC[C@H](C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C28H41N3O4/c1-22(20-29-2)30-27(32)31-18-11-12-23(21-31)28(33,17-9-10-19-34-3)25-15-7-8-16-26(25)35-24-13-5-4-6-14-24/h4-8,13-16,22-23,29,33H,9-12,17-21H2,1-3H3,(H,30,32)/t22-,23+,28-/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 | 126 | 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)) | BDBM50350942
(CHEMBL1818043)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C29H40N2O4/c1-34-19-8-7-17-29(33,26-13-5-6-14-27(26)35-25-11-3-2-4-12-25)23-10-9-18-31(21-23)28(32)22-15-16-24(30)20-22/h2-6,11-14,22-24,33H,7-10,15-21,30H2,1H3/t22-,23-,24+,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 | 195 | 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)) | BDBM50350945
(CHEMBL1818040)Show SMILES CNC[C@H](CC(C)(C)C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H49N3O4/c1-31(2,3)22-26(23-33-4)34-30(36)35-20-13-14-25(24-35)32(37,19-11-12-21-38-5)28-17-9-10-18-29(28)39-27-15-7-6-8-16-27/h6-10,15-18,25-26,33,37H,11-14,19-24H2,1-5H3,(H,34,36)/t25-,26+,32+/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 | 420 | 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)) | BDBM50350913
(CHEMBL1818038)Show SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C34H51N3O4/c1-35-25-29(24-27-14-5-3-6-15-27)36-33(38)37-22-13-16-28(26-37)34(39,21-11-12-23-40-2)31-19-9-10-20-32(31)41-30-17-7-4-8-18-30/h4,7-10,17-20,27-29,35,39H,3,5-6,11-16,21-26H2,1-2H3,(H,36,38)/t28-,29+,34+/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 | 596 | 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)) | BDBM50350941
(CHEMBL1818044)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@@H](N)C1)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C29H40N2O4/c1-34-19-8-7-17-29(33,26-13-5-6-14-27(26)35-25-11-3-2-4-12-25)23-10-9-18-31(21-23)28(32)22-15-16-24(30)20-22/h2-6,11-14,22-24,33H,7-10,15-21,30H2,1H3/t22-,23-,24-,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 | 1.44E+3 | 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)) | BDBM50350943
(CHEMBL1818042)Show SMILES CNCC(C)(C)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C29H43N3O4/c1-28(2,22-30-3)31-27(33)32-19-12-13-23(21-32)29(34,18-10-11-20-35-4)25-16-8-9-17-26(25)36-24-14-6-5-7-15-24/h5-9,14-17,23,30,34H,10-13,18-22H2,1-4H3,(H,31,33)/t23-,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 | 2.90E+3 | 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)) | BDBM50350928
(CHEMBL1818057)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cc(F)ccc1-c1cccc(C)c1 |r| Show InChI InChI=1S/C30H41FN2O4/c1-20-7-5-8-21(15-20)25-11-10-24(31)18-26(25)30(36,12-3-4-14-37-2)23-9-6-13-33(19-23)29(35)22-16-27(32)28(34)17-22/h5,7-8,10-11,15,18,22-23,27-28,34,36H,3-4,6,9,12-14,16-17,19,32H2,1-2H3/t22-,23+,27+,28-,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 | 4.70E+3 | 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)) | BDBM50350940
(CHEMBL1818045)Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1CC[C@@H](N)C1)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C29H40N2O4/c1-34-19-8-7-17-29(33,26-13-5-6-14-27(26)35-25-11-3-2-4-12-25)23-10-9-18-31(21-23)28(32)22-15-16-24(30)20-22/h2-6,11-14,22-24,33H,7-10,15-21,30H2,1H3/t22-,23+,24+,29-/m0/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 | >5.00E+3 | 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 | |
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