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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 1913,50004608   
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
Glucosylceramidase


(Homo sapiens (Human))
BDBM313453
PNG
(US10167270, Example 160)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3OC=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C65H72N8O10/c1-72(2)50-22-25-54-58(41-50)83-59-42-51(73(3)4)23-26-55(59)62(54)53-24-19-47(40-57(53)82-43-74)65(77)67-29-31-79-33-35-81-37-36-80-34-32-78-30-27-60(75)66-28-11-5-6-16-61(76)68-48-20-17-44(18-21-48)63-70-56-15-10-9-14-52(56)64(71-63)69-49-38-45-12-7-8-13-46(45)39-49/h7-10,12-15,17-26,40-43,49H,5-6,11,16,27-39H2,1-4H3,(H3-,66,67,68,69,70,71,75,76,77)/p+1
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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/a 7.10n/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM313451
PNG
(US10167270, Example 158)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C54H51N7O5/c1-60(2)39-22-25-43-47(31-39)66-48-32-40(61(3)4)23-26-44(48)50(43)41-24-19-36(30-45(41)54(64)65)53(63)55-27-11-5-6-16-49(62)56-37-20-17-33(18-21-37)51-58-46-15-10-9-14-42(46)52(59-51)57-38-28-34-12-7-8-13-35(34)29-38/h7-10,12-15,17-26,30-32,38H,5-6,11,16,27-29H2,1-4H3,(H3-,55,56,57,58,59,62,63,64,65)/p+1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 79n/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM313452
PNG
(US10167270, Example 159)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCOCCOCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C54H51N7O7/c1-60(2)39-18-21-43-47(30-39)68-48-31-40(61(3)4)19-22-44(48)50(43)41-20-15-36(29-45(41)54(64)65)53(63)55-23-24-66-25-26-67-32-49(62)56-37-16-13-33(14-17-37)51-58-46-12-8-7-11-42(46)52(59-51)57-38-27-34-9-5-6-10-35(34)28-38/h5-22,29-31,38H,23-28,32H2,1-4H3,(H3-,55,56,57,58,59,62,63,64,65)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 126n/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair