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BDBM367655 N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hydroxy-3- (pyrrolidin-1-yl)propan-2-yl)-6-(4- fluorophenyl)-3,3-dimethyl-3,4- dihydroisoquinoline-1-carboxamide::US10227312, Example 41::US10759769, Example 41

SMILES: CC1(C)Cc2cc(ccc2C(=N1)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)-c1ccc(F)cc1

InChI Key: InChIKey=CUAGAHPSLRLAPY-QLWXXVCSSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 367655   
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))
BDBM367655
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)Cc2cc(ccc2C(=N1)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)-c1ccc(F)cc1 |r,c:11|
Show InChI InChI=1S/C34H37ClFN3O3/c1-34(2)19-24-17-22(21-5-9-25(36)10-6-21)7-13-27(24)31(38-34)33(41)37-29(20-39-15-3-4-16-39)32(40)23-8-14-30(28(35)18-23)42-26-11-12-26/h5-10,13-14,17-18,26,29,32,40H,3-4,11-12,15-16,19-20H2,1-2H3,(H,37,41)/t29-,32-/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 550n/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))
BDBM367655
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)Cc2cc(ccc2C(=N1)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)-c1ccc(F)cc1 |r,c:11|
Show InChI InChI=1S/C34H37ClFN3O3/c1-34(2)19-24-17-22(21-5-9-25(36)10-6-21)7-13-27(24)31(38-34)33(41)37-29(20-39-15-3-4-16-39)32(40)23-8-14-30(28(35)18-23)42-26-11-12-26/h5-10,13-14,17-18,26,29,32,40H,3-4,11-12,15-16,19-20H2,1-2H3,(H,37,41)/t29-,32-/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 550n/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