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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50352279'   
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))
BDBM50352279
PNG
(CHEMBL1822453)
Show SMILES O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/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))
BDBM50352279
PNG
(CHEMBL1822453)
Show SMILES O=C(NCC(N1CCCCC1)c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C30H34N6O2/c37-30(31-21-27(23-10-3-1-4-11-23)35-17-7-2-8-18-35)36-19-15-24(16-20-36)29-33-28(34-38-29)26-14-13-22-9-5-6-12-25(22)32-26/h1,3-6,9-14,24,27H,2,7-8,15-21H2,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 330n/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