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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Photoreceptor-specific nuclear receptor' and Ligand = 'BDBM50192202'   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM50192202
PNG
(2-chloro-N-(4-(5-((1S,2R)-2-fluorocyclopropanecarb...)
Show SMILES F[C@@H]1C[C@H]1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H18ClFN4O2/c25-18-4-2-1-3-16(18)23(31)27-14-7-5-13(6-8-14)22-29-20-10-9-15(11-21(20)30-22)28-24(32)17-12-19(17)26/h1-11,17,19H,12H2,(H,27,31)(H,28,32)(H,29,30)/t17-,19-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM50192202
PNG
(2-chloro-N-(4-(5-((1S,2R)-2-fluorocyclopropanecarb...)
Show SMILES F[C@@H]1C[C@H]1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H18ClFN4O2/c25-18-4-2-1-3-16(18)23(31)27-14-7-5-13(6-8-14)22-29-20-10-9-15(11-21(20)30-22)28-24(32)17-12-19(17)26/h1-11,17,19H,12H2,(H,27,31)(H,28,32)(H,29,30)/t17-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 720n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair