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BDBM396278 US10314827, Compound 31

SMILES: CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C

InChI Key: InChIKey=NHQNTVJJVVOJQL-WWGOJCOQSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 396278   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM396278
PNG
(US10314827, Compound 31)
Show SMILES CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C |r,c:9|
Show InChI InChI=1S/C29H47NO2/c1-17-12-26-27(30-16-17)19(3)29(32-26)11-9-22-23-7-6-20-13-21(31-5)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 60n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...


Bioorg Med Chem Lett 18: 1994-9 (2008)


BindingDB Entry DOI: 10.7270/Q2QR50GW
More data for this
Ligand-Target Pair