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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50277294'   
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))
BDBM50277294
PNG
(6-methyl-N-((2S)-2-(2,2,2-trifluoro-1-phenylethyla...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NC(c2ccccc2)C(F)(F)F)c1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C32H26F6N2O/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(33,34)35)30(41)40-25-15-12-22-16-26(18-23(22)17-25)39-29(32(36,37)38)21-7-3-2-4-8-21/h2-15,17,26,29,39H,16,18H2,1H3,(H,40,41)/t26-,29?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50277294
PNG
(6-methyl-N-((2S)-2-(2,2,2-trifluoro-1-phenylethyla...)
Show SMILES Cc1cccc(C(=O)Nc2ccc3C[C@@H](Cc3c2)NC(c2ccccc2)C(F)(F)F)c1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C32H26F6N2O/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(33,34)35)30(41)40-25-15-12-22-16-26(18-23(22)17-25)39-29(32(36,37)38)21-7-3-2-4-8-21/h2-15,17,26,29,39H,16,18H2,1H3,(H,40,41)/t26-,29?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair