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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2, mitochondrial' and Ligand = 'BDBM191913'   
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
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM191913
PNG
(US9187429, 49 | US9187429, 50 | US9187429, 51)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 25n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM191913
PNG
(US9187429, 49 | US9187429, 50 | US9187429, 51)
Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 79n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair