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BDBM367633 7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopropoxy-3-fluorophenyl)-1- hydroxy-3-(pyrrolidin-1-yl)propan-2- yl)-N-methyl-1H-benzo[d][1,2]oxazine- 4-carboxamide::US10227312, Example 18::US10759769, Example 18

SMILES: CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1

InChI Key: InChIKey=CDWPEBDJNNUIIB-FUFSCUOVSA-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 = 367633   
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))
BDBM367633
PNG
(7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1 |r,t:27|
Show InChI InChI=1S/C30H31ClFN3O4S/c1-34(30(37)28-22-8-4-18(14-20(22)17-38-33-28)26-10-11-27(31)40-26)24(16-35-12-2-3-13-35)29(36)19-5-9-25(23(32)15-19)39-21-6-7-21/h4-5,8-11,14-15,21,24,29,36H,2-3,6-7,12-13,16-17H2,1H3/t24-,29-/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



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))
BDBM367633
PNG
(7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1 |r,t:27|
Show InChI InChI=1S/C30H31ClFN3O4S/c1-34(30(37)28-22-8-4-18(14-20(22)17-38-33-28)26-10-11-27(31)40-26)24(16-35-12-2-3-13-35)29(36)19-5-9-25(23(32)15-19)39-21-6-7-21/h4-5,8-11,14-15,21,24,29,36H,2-3,6-7,12-13,16-17H2,1H3/t24-,29-/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