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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50352276'   
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))
BDBM50352276
PNG
(CHEMBL1822448)
Show SMILES O=C(NCC1(CCCC1)NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 140n/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))
BDBM50352276
PNG
(CHEMBL1822448)
Show SMILES O=C(NCC1(CCCC1)NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 520n/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