Found 52 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)) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17949
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17949
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM50298193
(CHEMBL557064 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(\C=C\CCOC)c1 |r| Show InChI InChI=1S/C27H45N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h9,11-13,17,19-20,23-24,31H,7-8,10,14-16,18,28H2,1-6H3,(H,29,32)/b11-9+/t20-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298200
(CHEMBL550005 | N-((2S,3S,5S)-2-amino-5-(butylcarba...)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298192
(CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h12-13,17,19-20,23-24,31H,7-11,14-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298197
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298191
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298194
(CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298194
(CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298193
(CHEMBL557064 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(\C=C\CCOC)c1 |r| Show InChI InChI=1S/C27H45N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h9,11-13,17,19-20,23-24,31H,7-8,10,14-16,18,28H2,1-6H3,(H,29,32)/b11-9+/t20-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298191
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298199
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298197
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298190
((2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopr...)Show SMILES COCCCOc1cc(CN(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/C29H52N4O6/c1-19(2)22(27(35)32-18-29(5,6)28(31)36)15-24(34)23(30)17-33(20(3)4)16-21-10-11-25(38-8)26(14-21)39-13-9-12-37-7/h10-11,14,19-20,22-24,34H,9,12-13,15-18,30H2,1-8H3,(H2,31,36)(H,32,35)/t22-,23-,24-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298190
((2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopr...)Show SMILES COCCCOc1cc(CN(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/C29H52N4O6/c1-19(2)22(27(35)32-18-29(5,6)28(31)36)15-24(34)23(30)17-33(20(3)4)16-21-10-11-25(38-8)26(14-21)39-13-9-12-37-7/h10-11,14,19-20,22-24,34H,9,12-13,15-18,30H2,1-8H3,(H2,31,36)(H,32,35)/t22-,23-,24-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298198
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298196
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298200
(CHEMBL550005 | N-((2S,3S,5S)-2-amino-5-(butylcarba...)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298203
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298196
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298203
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298199
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298192
(CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h12-13,17,19-20,23-24,31H,7-11,14-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298198
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of human plasma renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298195
(CHEMBL564448 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCNC(=O)OC)c1 |r| Show InChI InChI=1S/C26H44N4O6/c1-7-8-12-28-24(32)18(4)14-22(31)21(27)16-30(17(2)3)25(33)20-9-10-23(35-5)19(15-20)11-13-29-26(34)36-6/h9-10,15,17-18,21-22,31H,7-8,11-14,16,27H2,1-6H3,(H,28,32)(H,29,34)/t18-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298201
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(N-isopropy...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H45N3O7S/c1-7-8-12-27-25(30)19(4)15-22(29)21(26)17-28(18(2)3)36(31,32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,29H,7-9,12-15,17,26H2,1-6H3,(H,27,30)/t19-,21+,22+/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298188
(CHEMBL560682 | N-((2S,3S,5R)-6-(butylamino)-3-hydr...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CNC(C)C)NC(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-27-25(31)19(4)15-22(30)21(17-28-18(2)3)29-26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,28,30H,7-9,12-15,17H2,1-6H3,(H,27,31)(H,29,32)/t19-,21+,22+/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 | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50298189
((2R,4S)-N-butyl-4-hydroxy-4-((S)-1-isopropyl-2-(4-...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CN(C(C)C)C(=N1)c1ccc(OC)c(OCCCOC)c1 |r,c:18| Show InChI InChI=1S/C26H43N3O5/c1-7-8-12-27-26(31)19(4)15-22(30)21-17-29(18(2)3)25(28-21)20-10-11-23(33-6)24(16-20)34-14-9-13-32-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17H2,1-6H3,(H,27,31)/t19-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50298190
((2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopr...)Show SMILES COCCCOc1cc(CN(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/C29H52N4O6/c1-19(2)22(27(35)32-18-29(5,6)28(31)36)15-24(34)23(30)17-33(20(3)4)16-21-10-11-25(38-8)26(14-21)39-13-9-12-37-7/h10-11,14,19-20,22-24,34H,9,12-13,15-18,30H2,1-8H3,(H2,31,36)(H,32,35)/t22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of rat renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50298197
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of rat renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50298191
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of rat renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50298203
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of rat renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Rattus norvegicus) | BDBM50298198
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of rat renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298193
(CHEMBL557064 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(\C=C\CCOC)c1 |r| Show InChI InChI=1S/C27H45N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h9,11-13,17,19-20,23-24,31H,7-8,10,14-16,18,28H2,1-6H3,(H,29,32)/b11-9+/t20-,23+,24+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298199
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298202
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(N-isopropy...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H37N3O5S/c1-6-7-12-23-21(26)16(4)13-20(25)19(22)14-24(15(2)3)30(27,28)18-10-8-17(29-5)9-11-18/h8-11,15-16,19-20,25H,6-7,12-14,22H2,1-5H3,(H,23,26)/t16-,19+,20+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298194
(CHEMBL561141 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CNC(=O)OC)c1 |r| Show InChI InChI=1S/C25H42N4O6/c1-7-8-11-27-23(31)17(4)12-21(30)20(26)15-29(16(2)3)24(32)18-9-10-22(34-5)19(13-18)14-28-25(33)35-6/h9-10,13,16-17,20-21,30H,7-8,11-12,14-15,26H2,1-6H3,(H,27,31)(H,28,33)/t17-,20+,21+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298192
(CHEMBL561407 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h12-13,17,19-20,23-24,31H,7-11,14-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50298202
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(N-isopropy...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H37N3O5S/c1-6-7-12-23-21(26)16(4)13-20(25)19(22)14-24(15(2)3)30(27,28)18-10-8-17(29-5)9-11-18/h8-11,15-16,19-20,25H,6-7,12-14,22H2,1-5H3,(H,23,26)/t16-,19+,20+/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of purified recombinant human renin |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298190
((2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopr...)Show SMILES COCCCOc1cc(CN(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/C29H52N4O6/c1-19(2)22(27(35)32-18-29(5,6)28(31)36)15-24(34)23(30)17-33(20(3)4)16-21-10-11-25(38-8)26(14-21)39-13-9-12-37-7/h10-11,14,19-20,22-24,34H,9,12-13,15-18,30H2,1-8H3,(H2,31,36)(H,32,35)/t22-,23-,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298203
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM17949
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298195
(CHEMBL564448 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCNC(=O)OC)c1 |r| Show InChI InChI=1S/C26H44N4O6/c1-7-8-12-28-24(32)18(4)14-22(31)21(27)16-30(17(2)3)25(33)20-9-10-23(35-5)19(15-20)11-13-29-26(34)36-6/h9-10,15,17-18,21-22,31H,7-8,11-14,16,27H2,1-6H3,(H,28,32)(H,29,34)/t18-,21+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298196
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298200
(CHEMBL550005 | N-((2S,3S,5S)-2-amino-5-(butylcarba...)Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C29H51N3O5/c1-8-10-14-31-28(34)24(20(3)4)18-26(33)25(30)19-32(21(5)6)29(35)23-13-12-22(9-2)27(17-23)37-16-11-15-36-7/h12-13,17,20-21,24-26,33H,8-11,14-16,18-19,30H2,1-7H3,(H,31,34)/t24-,25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298197
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298201
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(N-isopropy...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H45N3O7S/c1-7-8-12-27-25(30)19(4)15-22(29)21(26)17-28(18(2)3)36(31,32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,29H,7-9,12-15,17,26H2,1-6H3,(H,27,30)/t19-,21+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298198
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1 |r| Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | BDBM50298191
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Bos taurus) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagasaki International University
Curated by ChEMBL
| Assay Description
Inhibition of bovine cathepsin D |
Bioorg Med Chem Lett 19: 4863-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG |
More data for this
Ligand-Target Pair | |
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