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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.9
BDBM101341

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM101341
PNG
(US9695151, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2)17-6-12(20)4-5-16(17)18(25)24(19)15-7-13(8-21-9-15)22-14-10-23(11-14)28(3,26)27/h4-9,14,22H,10-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/an/an/a 2.80E+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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM101341
PNG
(US9695151, 8)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(NC2CN(C2)S(C)(=O)=O)c1
Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2)17-6-12(20)4-5-16(17)18(25)24(19)15-7-13(8-21-9-15)22-14-10-23(11-14)28(3,26)27/h4-9,14,22H,10-11H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 17n/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 US9695151 (2017)


BindingDB Entry DOI: 10.7270/Q2KD1W22
More data for this
Ligand-Target Pair