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BDBM50311521 CHEMBL1081556::N-(4-chlorobenzyl)-2-((2S,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide

SMILES: Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1

InChI Key: InChIKey=DRDSZZCLAHXSAE-DIQFXESUSA-N

Data: 1 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311521   
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
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311521
PNG
(CHEMBL1081556 | N-(4-chlorobenzyl)-2-((2S,6S,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22+/m0/s1
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Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Homo sapiens (Human))
BDBM50311521
PNG
(CHEMBL1081556 | N-(4-chlorobenzyl)-2-((2S,6S,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22+/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 570n/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Shh N-terminal peptide by surface plasma resonance


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair