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BDBM50200501 CHEMBL3890551

SMILES: [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(NC(C)=O)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1

InChI Key: InChIKey=FPOARNGOMVMKNX-RLVOKJKJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200501   
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)		BDBM50200501
PNG
(CHEMBL3890551)
Show SMILES [H][C@]1(CC[C@@H](C)[C@]2([H])Cc3sc(NC(C)=O)nc3C[C@]12[H])[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 |r|
Show InChI InChI=1S/C28H31ClN4O2S/c1-15-7-9-19(21-13-25-26(14-20(15)21)36-28(33-25)31-17(3)34)16(2)27(35)32-18-8-10-23(29)22(12-18)24-6-4-5-11-30-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,32,35)(H,31,33,34)/t15-,16-,19+,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/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