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USPatent US8975252

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM149462
PNG
(US8975252, 39)
Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)c2ccccc12
Show InChI InChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1
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Similars

n/an/a 13n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.; Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
A renin substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluoro...


US Patent US8975252 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15NG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM149461
PNG
(US8975252, 4)
Show SMILES COCCCOc1cc(CN(C2CC2)C(=O)[C@H]2CNCCO2)cc2ccccc12
Show InChI InChI=1S/C23H30N2O4/c1-27-10-4-11-28-21-14-17(13-18-5-2-3-6-20(18)21)16-25(19-7-8-19)23(26)22-15-24-9-12-29-22/h2-3,5-6,13-14,19,22,24H,4,7-12,15-16H2,1H3/t22-/m1/s1
PDB
MMDB

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UniChem
n/an/a 30.2n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.; Mitsubishi Tanabe Pharma Corporation

US Patent


Assay Description
A renin substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluoro...


US Patent US8975252 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15NG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%