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BDBM367619 N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(pyrrolidin-1-yl)propan-2- yl)-7-(4-fluorophenyl)-1H- benzo[d][1,2]oxazine-4-carboxamide::US10227312, Example 4::US10759769, Example 4

SMILES: O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1

InChI Key: InChIKey=LLQSWVCYMQGIFA-PQHLKRTFSA-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 = 367619   
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))
BDBM367619
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C31H32FN3O4/c32-24-8-3-20(4-9-24)22-7-14-27-23(17-22)19-38-34-29(27)31(37)33-28(18-35-15-1-2-16-35)30(36)21-5-10-25(11-6-21)39-26-12-13-26/h3-11,14,17,26,28,30,36H,1-2,12-13,15-16,18-19H2,(H,33,37)/t28-,30-/m1/s1
NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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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))
BDBM367619
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C31H32FN3O4/c32-24-8-3-20(4-9-24)22-7-14-27-23(17-22)19-38-34-29(27)31(37)33-28(18-35-15-1-2-16-35)30(36)21-5-10-25(11-6-21)39-26-12-13-26/h3-11,14,17,26,28,30,36H,1-2,12-13,15-16,18-19H2,(H,33,37)/t28-,30-/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