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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Monomerid = 50022864   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Renin


(Mus musculus)
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022864
PNG
(Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL31824...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C42H66N8O9/c1-13-26(6)34(38(54)46-32(40(56)58-12)21-29-22-43-23-44-29)49-37(53)33(25(4)5)48-36(52)30(19-24(2)3)45-35(51)27(7)50(11)39(55)31(20-28-17-15-14-16-18-28)47-41(57)59-42(8,9)10/h14-18,22-27,30-34H,13,19-21H2,1-12H3,(H,43,44)(H,45,51)(H,46,54)(H,47,57)(H,48,52)(H,49,53)/t26-,27-,30-,31-,32-,33-,34-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair