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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 101408   
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
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 29n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 652n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 18n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM101408
PNG
(US9695152, 29 | US9695152, 30)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(=O)(=O)C2CC2)c1 |r|
Show InChI InChI=1S/C20H21ClN4O3S/c1-12-19-6-13(21)2-5-18(19)20(26)25(12)16-7-14(8-22-9-16)23-15-10-24(11-15)29(27,28)17-3-4-17/h2,5-9,12,15,17,23H,3-4,10-11H2,1H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 5.81E+3n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair