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BDBM299319 Step 1::US9593113, Example 83

SMILES: CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(N)=O

InChI Key: InChIKey=KGTPUAVLMOQTLE-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 299319   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299319
PNG
(Step 1 | US9593113, Example 83)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C28H28FN3O3/c1-28(2,27(30)34)23-19-7-6-8-21(29)24(19)35-25-20(23)13-14-22(31-25)17-9-11-18(12-10-17)26(33)32-15-4-3-5-16-32/h6-14,23H,3-5,15-16H2,1-2H3,(H2,30,34)/t23-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem
US Patent
1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair