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BDBM396275 US10314827, Compound 24

SMILES: C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1

InChI Key: InChIKey=VNPKDQJSCXUEBT-GUWLMJFKSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 396275   
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, germ cell type


(Homo sapiens (Human))		BDBM396275
PNG
(US10314827, Compound 24)
Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:47|
Show InChI InChI=1S/C40H58N2O3/c1-26-21-36-38(42(25-26)20-19-41(5)37(44)14-11-29-9-7-6-8-10-29)28(3)40(45-36)18-16-32-33-13-12-30-22-31(43)15-17-39(30,4)35(33)23-34(32)27(2)24-40/h6-10,26,28,30,32-33,35-36,38H,11-25H2,1-5H3/t26-,28+,30+,32-,33-,35-,36+,38-,39-,40-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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