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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2 (CYP11B2)' and Ligand = 'BDBM336920'   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM336920
PNG
(US9745289, Compound 48A | US9745289, Compound 48B)
Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1cncc(c1)C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C23H27N3O5/c1-14(2)23(28)26-8-6-16(7-9-26)30-17-10-15(11-25-12-17)20-13-29-21-18(22(24)27)4-3-5-19(21)31-20/h3-5,10-12,14,16,20H,6-9,13H2,1-2H3,(H2,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336920
PNG
(US9745289, Compound 48A | US9745289, Compound 48B)
Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1cncc(c1)C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C23H27N3O5/c1-14(2)23(28)26-8-6-16(7-9-26)30-17-10-15(11-25-12-17)20-13-29-21-18(22(24)27)4-3-5-19(21)31-20/h3-5,10-12,14,16,20H,6-9,13H2,1-2H3,(H2,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair