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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50010433'   
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


(Homo sapiens (Human))
BDBM50010433
PNG
(BOC-Phe-His-Leu-psi-[CHOHCH2]Val-Ile-His-OH | CHEM...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C44H67N9O9/c1-10-27(6)37(41(58)51-35(42(59)60)19-30-22-46-24-48-30)53-38(55)31(26(4)5)20-36(54)32(16-25(2)3)49-40(57)34(18-29-21-45-23-47-29)50-39(56)33(17-28-14-12-11-13-15-28)52-43(61)62-44(7,8)9/h11-15,21-27,31-37,54H,10,16-20H2,1-9H3,(H,45,47)(H,46,48)(H,49,57)(H,50,56)(H,51,58)(H,52,61)(H,53,55)(H,59,60)/t27-,31-,32-,33-,34-,35-,36-,37-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against human renin


J Med Chem 34: 3267-80 (1991)


Article DOI: 10.1021/jm00115a016
BindingDB Entry DOI: 10.7270/Q2G161FT
More data for this
Ligand-Target Pair