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BDBM367626 N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphenyl)-1-hydroxypropan- 2-yl)-7-(5-chlorothiophen-2-yl)-1H- benzo[d][1,2]oxazine-4-carboxamide::US10227312, Example 11::US10759769, Example 11

SMILES: O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1

InChI Key: InChIKey=VJZKNKKIMVYKCX-YIXXDRMTSA-N

Data: 2 IC50

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 = 367626   
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))
BDBM367626
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4S/c29-25-11-10-24(37-25)18-4-9-22-19(14-18)16-35-31-26(22)28(34)30-23(15-32-12-1-13-32)27(33)17-2-5-20(6-3-17)36-21-7-8-21/h2-6,9-11,14,21,23,27,33H,1,7-8,12-13,15-16H2,(H,30,34)/t23-,27-/m1/s1
NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))
BDBM367626
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4S/c29-25-11-10-24(37-25)18-4-9-22-19(14-18)16-35-31-26(22)28(34)30-23(15-32-12-1-13-32)27(33)17-2-5-20(6-3-17)36-21-7-8-21/h2-6,9-11,14,21,23,27,33H,1,7-8,12-13,15-16H2,(H,30,34)/t23-,27-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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