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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50352261'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Smoothened homolog


(Homo sapiens (Human))
BDBM50352261
PNG
(CHEMBL1822304)
Show SMILES O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C27H34N6O2/c34-26(28-19-27(13-3-4-14-27)33-15-5-6-16-33)32-17-11-21(12-18-32)25-30-24(31-35-25)23-10-9-20-7-1-2-8-22(20)29-23/h1-2,7-10,21H,3-6,11-19H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum


Bioorg Med Chem Lett 21: 5283-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.030
BindingDB Entry DOI: 10.7270/Q24F1R35
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM50352261
PNG
(CHEMBL1822304)
Show SMILES O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C27H34N6O2/c34-26(28-19-27(13-3-4-14-27)33-15-5-6-16-33)32-17-11-21(12-18-32)25-30-24(31-35-25)23-10-9-20-7-1-2-8-22(20)29-23/h1-2,7-10,21H,3-6,11-19H2,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human seru...


Bioorg Med Chem Lett 21: 5283-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.030
BindingDB Entry DOI: 10.7270/Q24F1R35
More data for this
Ligand-Target Pair