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Compile Data Set for Download or QSAR

Found 15 hits from Bristol-Meyers Squibb Company   
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
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391839
PNG
(CHEMBL2147034 | US9133160, 2)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1
Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391842
PNG
(CHEMBL2147037 | US9133160, 14)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cccc(F)n1
Show InChI InChI=1S/C18H13FN4/c1-12-8-9-20-10-14(12)13-4-2-5-15-18(13)21-11-23(15)17-7-3-6-16(19)22-17/h2-11H,1H3
PDB

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n/an/a 11n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391840
PNG
(CHEMBL2147035 | US9133160, 4)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1
Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-10-19-7-8-20-16/h2-11H,1H3
PDB

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n/an/a 37n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391841
PNG
(CHEMBL2147036 | US9133160, 9)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4/c1-12-8-9-23-10-14(12)13-4-2-5-15-18(13)24-11-26(15)17-7-3-6-16(25-17)19(20,21)22/h2-11H,1H3
PDB

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n/an/a 40n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391851
PNG
(CHEMBL2147046 | US9133160, 45)
Show SMILES CCOc1ncncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H13F3N4O/c1-2-23-14-11(6-19-8-20-14)10-4-3-5-12-13(10)21-9-22(12)7-15(16,17)18/h3-6,8-9H,2,7H2,1H3
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n/an/a 135n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM180269
PNG
(US9133160, 6)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cccnn1
Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-15-17(13)19-11-22(15)16-6-3-8-20-21-16/h2-11H,1H3
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n/an/a 250n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391847
PNG
(CHEMBL2147042 | US9133160, 35)
Show SMILES Cc1ccncc1-c1cccc2n(CC#N)cnc12
Show InChI InChI=1S/C15H12N4/c1-11-5-7-17-9-13(11)12-3-2-4-14-15(12)18-10-19(14)8-6-16/h2-5,7,9-10H,8H2,1H3
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n/an/a 330n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391849
PNG
(CHEMBL2147044 | US9133160, 39)
Show SMILES FC(F)(F)Cn1cnc2c(cccc12)-c1cnccc1Cl
Show InChI InChI=1S/C14H9ClF3N3/c15-11-4-5-19-6-10(11)9-2-1-3-12-13(9)20-8-21(12)7-14(16,17)18/h1-6,8H,7H2
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n/an/a 361n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391848
PNG
(CHEMBL2147043 | US9133160, 37)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)C1CC1
Show InChI InChI=1S/C16H15N3/c1-11-7-8-17-9-14(11)13-3-2-4-15-16(13)18-10-19(15)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3
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n/an/a 396n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391845
PNG
(CHEMBL2147040 | US9133160, 30)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccncc1
Show InChI InChI=1S/C18H14N4/c1-13-5-8-20-11-16(13)15-3-2-4-17-18(15)21-12-22(17)14-6-9-19-10-7-14/h2-12H,1H3
PDB

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n/an/a 405n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391844
PNG
(CHEMBL2147039 | US9133160, 29)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccncn1
Show InChI InChI=1S/C17H13N5/c1-12-5-7-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-6-8-19-10-20-16/h2-11H,1H3
PDB

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n/an/a 656n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391850
PNG
(CHEMBL2147045 | US9133160, 44)
Show SMILES Nc1ncncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C13H10F3N5/c14-13(15,16)5-21-7-20-11-8(2-1-3-10(11)21)9-4-18-6-19-12(9)17/h1-4,6-7H,5H2,(H2,17,18,19)
PDB

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n/an/a 674n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391843
PNG
(CHEMBL2147038 | US9133160, 15)
Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ncc(F)cc1F
Show InChI InChI=1S/C18H12F2N4/c1-11-5-6-21-9-14(11)13-3-2-4-16-17(13)23-10-24(16)18-15(20)7-12(19)8-22-18/h2-10H,1H3
PDB

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n/an/a 758n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50391852
PNG
(CHEMBL2147047 | US9133160, 46)
Show SMILES Nc1ncncc1-c1cccc2n(cnc12)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H11F2N5/c18-10-4-5-14(13(19)6-10)24-9-23-16-11(2-1-3-15(16)24)12-7-21-8-22-17(12)20/h1-9H,(H2,20,21,22)
PDB

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n/an/a 797n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...


US Patent US9133160 (2015)


BindingDB Entry DOI: 10.7270/Q2KD1WQK
More data for this
Ligand-Target Pair