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SMILES: O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1

InChI Key: InChIKey=QBVMPVDBKBEAGJ-SHQCIBLASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 367641   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367641
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4/c29-23-14-18(7-11-25(23)36-19-8-9-19)27(33)24(15-32-12-3-13-32)30-28(34)26-21-10-6-17-4-1-2-5-20(17)22(21)16-35-31-26/h1-2,4-7,10-11,14,19,24,27,33H,3,8-9,12-13,15-16H2,(H,30,34)/t24-,27-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Protein concentration was determined using BCA assay kit. Sixty micrograms of MDCK cell lysate was incubated with various concentrations of a compoun...


US Patent US10759769 (2020)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367641
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4/c29-23-14-18(7-11-25(23)36-19-8-9-19)27(33)24(15-32-12-3-13-32)30-28(34)26-21-10-6-17-4-1-2-5-20(17)22(21)16-35-31-26/h1-2,4-7,10-11,14,19,24,27,33H,3,8-9,12-13,15-16H2,(H,30,34)/t24-,27-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Wyeth Research



Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


J Med Chem 51: 1319-23 (2008)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair