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BDBM50200492 CHEMBL3933195

SMILES: [H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CC(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)O1)[C@@]24O3

InChI Key: InChIKey=LTFFQOQZXKPQLO-WSGLMESZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200492   
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
Smoothened homolog


(Mus musculus)		BDBM50200492
PNG
(CHEMBL3933195)
Show SMILES [H][C@]12O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@@H](C)[C@@H](CC(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)O1)[C@@]24O3 |r|
Show InChI InChI=1S/C28H33ClN2O4/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 184n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay

J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair