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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50183227   
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
Cytochrome P450 26A1


(Homo sapiens (Human))
BDBM50183227
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C24H29N3O3/c1-17(26(2)3)22(27-12-11-25-16-27)20-6-5-19-14-21(8-7-18(19)13-20)30-15-24(23(28)29)9-4-10-24/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3,(H,28,29)/t17-,22+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50183227
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C24H29N3O3/c1-17(26(2)3)22(27-12-11-25-16-27)20-6-5-19-14-21(8-7-18(19)13-20)30-15-24(23(28)29)9-4-10-24/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3,(H,28,29)/t17-,22+/m1/s1
PDB
MMDB

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GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 2729-33 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair