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BDBM396282 US10314827, Compound 39

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]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CNCc1ccccc1

InChI Key: InChIKey=DEKZSQYAEWRBCK-MPRNAZGESA-N

Data: 1 EC50

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

Found 1 hit for monomerid = 396282   
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))		BDBM396282
PNG
(US10314827, Compound 39)
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]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CNCc1ccccc1 |r,t:42|
Show InChI InChI=1S/C45H60N2O5/c1-29-21-40-42(47(27-29)43(49)50-28-33-13-9-6-10-14-33)31(3)45(52-40)20-18-36-37-16-15-34-22-35(51-41(48)26-46-25-32-11-7-5-8-12-32)17-19-44(34,4)39(37)23-38(36)30(2)24-45/h5-14,29,31,34-37,39-40,42,46H,15-28H2,1-4H3/t29-,31+,34+,35+,36-,37-,39-,40+,42-,44-,45-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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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