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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ceramide glucosyltransferase' and Ligand = 'BDBM50356074'   
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
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356074
PNG
(CHEMBL1911819)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C28H27ClF4N4O4/c1-36-11-13-37(14-12-36)27(39)23(17-40-16-18-4-7-20(30)8-5-18)35-25(38)21-3-2-10-34-26(21)41-24-9-6-19(15-22(24)29)28(31,32)33/h2-10,15,23H,11-14,16-17H2,1H3,(H,35,38)/t23-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356074
PNG
(CHEMBL1911819)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C28H27ClF4N4O4/c1-36-11-13-37(14-12-36)27(39)23(17-40-16-18-4-7-20(30)8-5-18)35-25(38)21-3-2-10-34-26(21)41-24-9-6-19(15-22(24)29)28(31,32)33/h2-10,15,23H,11-14,16-17H2,1H3,(H,35,38)/t23-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair