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BDBM50355524 CHEMBL1910547

SMILES: OCC(O)CO[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1

InChI Key: InChIKey=SWMZTVYJBYTXIJ-QZCNEVKDSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50355524   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50355524
PNG
(CHEMBL1910547)
Show SMILES OCC(O)CO[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C34H35F4N3O4/c35-24-4-1-3-21(13-24)16-40-17-22(32-29(37)5-2-6-31(32)40)18-41(25-8-9-25)33(44)27-15-39-12-11-34(27,45-20-26(43)19-42)23-7-10-28(36)30(38)14-23/h1-7,10,13-14,17,25-27,39,42-43H,8-9,11-12,15-16,18-20H2/t26?,27-,34+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
800n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 21: 3976-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50355524
PNG
(CHEMBL1910547)
Show SMILES OCC(O)CO[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C34H35F4N3O4/c35-24-4-1-3-21(13-24)16-40-17-22(32-29(37)5-2-6-31(32)40)18-41(25-8-9-25)33(44)27-15-39-12-11-34(27,45-20-26(43)19-42)23-7-10-28(36)30(38)14-23/h1-7,10,13-14,17,25-27,39,42-43H,8-9,11-12,15-16,18-20H2/t26?,27-,34+/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ...


Bioorg Med Chem Lett 21: 3976-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN
More data for this
Ligand-Target Pair