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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'colston' and Initial = 'e'   
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
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239250
PNG
(CHEMBL4086080)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-3-4-22(30(37)36-32(13-14-32)23-11-15-35-16-12-23)18-25(19)21-7-10-27-26(17-21)28(31(38)34-2)29(39-27)20-5-8-24(33)9-6-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239251
PNG
(CHEMBL4096241)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-5-6-22(30(37)36-32(13-14-32)23-4-3-15-35-18-23)17-25(19)21-9-12-27-26(16-21)28(31(38)34-2)29(39-27)20-7-10-24(33)11-8-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239250
PNG
(CHEMBL4086080)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-3-4-22(30(37)36-32(13-14-32)23-11-15-35-16-12-23)18-25(19)21-7-10-27-26(17-21)28(31(38)34-2)29(39-27)20-5-8-24(33)9-6-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239251
PNG
(CHEMBL4096241)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-5-6-22(30(37)36-32(13-14-32)23-4-3-15-35-18-23)17-25(19)21-9-12-27-26(16-21)28(31(38)34-2)29(39-27)20-7-10-24(33)11-8-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239252
PNG
(CHEMBL4078188)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-6-7-22(30(37)36-32(14-15-32)27-5-3-4-16-35-27)18-24(19)21-10-13-26-25(17-21)28(31(38)34-2)29(39-26)20-8-11-23(33)12-9-20/h3-13,16-18H,14-15H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239253
PNG
(CHEMBL4088517)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN2O3/c1-20-8-9-23(31(37)36-33(16-17-33)24-6-4-3-5-7-24)19-26(20)22-12-15-28-27(18-22)29(32(38)35-2)30(39-28)21-10-13-25(34)14-11-21/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239253
PNG
(CHEMBL4088517)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN2O3/c1-20-8-9-23(31(37)36-33(16-17-33)24-6-4-3-5-7-24)19-26(20)22-12-15-28-27(18-22)29(32(38)35-2)30(39-28)21-10-13-25(34)14-11-21/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239249
PNG
(CHEMBL4104000)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25FN4O3/c1-18-4-5-21(28(37)36-31(12-13-31)30-34-14-3-15-35-30)17-23(18)20-8-11-25-24(16-20)26(29(38)33-2)27(39-25)19-6-9-22(32)10-7-19/h3-11,14-17H,12-13H2,1-2H3,(H,33,38)(H,36,37)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239252
PNG
(CHEMBL4078188)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-6-7-22(30(37)36-32(14-15-32)27-5-3-4-16-35-27)18-24(19)21-10-13-26-25(17-21)28(31(38)34-2)29(39-26)20-8-11-23(33)12-9-20/h3-13,16-18H,14-15H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50239249
PNG
(CHEMBL4104000)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25FN4O3/c1-18-4-5-21(28(37)36-31(12-13-31)30-34-14-3-15-35-30)17-23(18)20-8-11-25-24(16-20)26(29(38)33-2)27(39-25)19-6-9-22(32)10-7-19/h3-11,14-17H,12-13H2,1-2H3,(H,33,38)(H,36,37)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by thallium flux assay


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50239252
PNG
(CHEMBL4078188)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-6-7-22(30(37)36-32(14-15-32)27-5-3-4-16-35-27)18-24(19)21-10-13-26-25(17-21)28(31(38)34-2)29(39-26)20-8-11-23(33)12-9-20/h3-13,16-18H,14-15H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by thallium flux assay


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239248
PNG
(CHEMBL4093031)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239249
PNG
(CHEMBL4104000)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25FN4O3/c1-18-4-5-21(28(37)36-31(12-13-31)30-34-14-3-15-35-30)17-23(18)20-8-11-25-24(16-20)26(29(38)33-2)27(39-25)19-6-9-22(32)10-7-19/h3-11,14-17H,12-13H2,1-2H3,(H,33,38)(H,36,37)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50239248
PNG
(CHEMBL4093031)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a>1.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50239248
PNG
(CHEMBL4093031)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50239248
PNG
(CHEMBL4093031)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by thallium flux assay


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50239249
PNG
(CHEMBL4104000)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H25FN4O3/c1-18-4-5-21(28(37)36-31(12-13-31)30-34-14-3-15-35-30)17-23(18)20-8-11-25-24(16-20)26(29(38)33-2)27(39-25)19-6-9-22(32)10-7-19/h3-11,14-17H,12-13H2,1-2H3,(H,33,38)(H,36,37)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Transactivation of PXR (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50239248
PNG
(CHEMBL4093031)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
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MCE
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n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Transactivation of PXR (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50239252
PNG
(CHEMBL4078188)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-6-7-22(30(37)36-32(14-15-32)27-5-3-4-16-35-27)18-24(19)21-10-13-26-25(17-21)28(31(38)34-2)29(39-26)20-8-11-23(33)12-9-20/h3-13,16-18H,14-15H2,1-2H3,(H,34,38)(H,36,37)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Transactivation of PXR (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair