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BDBM396281 US10314827, Compound 37

SMILES: C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC2=C(C)C1)=NO

InChI Key: InChIKey=WVUHFVWOMNZTMY-PTKIWVSWSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 396281   
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))		BDBM396281
PNG
(US10314827, Compound 37)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC2=C(C)C1)=NO |r,w:40.47,t:42|
Show InChI InChI=1S/C36H50N2O4/c1-22-16-32-33(38(20-22)34(39)41-21-25-8-6-5-7-9-25)24(3)36(42-32)15-13-28-29-11-10-26-17-27(37-40)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26,28-29,31-33,40H,10-21H2,1-4H3/t22-,24+,26+,28-,29-,31-,32+,33-,35-,36-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<20n/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