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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'bell' and Initial = 'lt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50228475
PNG
(CHEMBL90348)
Show SMILES COc1c2occc2c(OC)c2c1oc(CN1CCC(CCC3CCN(Cc4cc(=O)c5c(OC)c6ccoc6c(OC)c5o4)CC3)CC1)cc2=O
Show InChI InChI=1S/C40H44N2O10/c1-45-33-27-11-17-49-35(27)39(47-3)37-31(33)29(43)19-25(51-37)21-41-13-7-23(8-14-41)5-6-24-9-15-42(16-10-24)22-26-20-30(44)32-34(46-2)28-12-18-50-36(28)40(48-4)38(32)52-26/h11-12,17-20,23-24H,5-10,13-16,21-22H2,1-4H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase


J Med Chem 33: 2685-7 (1990)


BindingDB Entry DOI: 10.7270/Q20867JQ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50228476
PNG
(CHEMBL92580)
Show SMILES COc1c2CCOc2c(OC)c2oc(CN3CCC(CCC4CCN(Cc5cc(=O)c6c(OC)c7CCOc7c(OC)c6o5)CC4)CC3)cc(=O)c12
Show InChI InChI=1S/C40H48N2O10/c1-45-33-27-11-17-49-35(27)39(47-3)37-31(33)29(43)19-25(51-37)21-41-13-7-23(8-14-41)5-6-24-9-15-42(16-10-24)22-26-20-30(44)32-34(46-2)28-12-18-50-36(28)40(48-4)38(32)52-26/h19-20,23-24H,5-18,21-22H2,1-4H3
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n/an/a 4.18E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase


J Med Chem 33: 2685-7 (1990)


BindingDB Entry DOI: 10.7270/Q20867JQ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50228477
PNG
(CHEMBL88725)
Show SMILES COc1c2ccoc2c(OC)c2oc(CN3CCC(CCCC4CCN(Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12
Show InChI InChI=1S/C41H46N2O10/c1-46-34-28-12-18-50-36(28)40(48-3)38-32(34)30(44)20-26(52-38)22-42-14-8-24(9-15-42)6-5-7-25-10-16-43(17-11-25)23-27-21-31(45)33-35(47-2)29-13-19-51-37(29)41(49-4)39(33)53-27/h12-13,18-21,24-25H,5-11,14-17,22-23H2,1-4H3
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n/an/a 5.77E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase


J Med Chem 33: 2685-7 (1990)


BindingDB Entry DOI: 10.7270/Q20867JQ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50228478
PNG
(CHEMBL328228)
Show SMILES COc1c2occ(F)c2c(OC)c2c1oc(CN1CCC(CCC3CCN(Cc4cc(=O)c5c(OC)c6c(F)coc6c(OC)c5o4)CC3)CC1)cc2=O
Show InChI InChI=1S/C40H42F2N2O10/c1-47-33-29-25(41)19-51-35(29)39(49-3)37-31(33)27(45)15-23(53-37)17-43-11-7-21(8-12-43)5-6-22-9-13-44(14-10-22)18-24-16-28(46)32-34(48-2)30-26(42)20-52-36(30)40(50-4)38(32)54-24/h15-16,19-22H,5-14,17-18H2,1-4H3
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n/an/a<1.33E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase


J Med Chem 33: 2685-7 (1990)


BindingDB Entry DOI: 10.7270/Q20867JQ
More data for this
Ligand-Target Pair