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BDBM50023086 Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylamide::CHEMBL300442

SMILES: CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(O)c1ccccc1

InChI Key: InChIKey=KSHOHCPWQBYETG-RCSGAXFDSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50023086   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50023086
PNG
(Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023086
PNG
(Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1
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PubMed
67n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023086
PNG
(Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylami...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8/c1-26(2)19-32(36(51)23-37(52)47-33(20-27(3)4)39(54)46-28(5)38(53)30-17-13-10-14-18-30)48-41(56)35(22-31-24-44-25-45-31)49-40(55)34(21-29-15-11-9-12-16-29)50-42(57)58-43(6,7)8/h9-18,24-28,32-36,38,51,53H,19-23H2,1-8H3,(H,44,45)(H,46,54)(H,47,52)(H,48,56)(H,49,55)(H,50,57)/t28?,32?,33-,34-,35-,36?,38?/m0/s1
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at 10e-9 M concentration


J Med Chem 30: 1853-7 (1987)


Article DOI: 10.1021/jm00393a029
BindingDB Entry DOI: 10.7270/Q2C24VDZ
More data for this
Ligand-Target Pair