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Patent code US9145419

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183402
PNG
(US9145419, 35)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1cccs1
Show InChI InChI=1S/C16H12N4S/c1-11-4-6-17-9-13(11)12-5-7-19-20-14(10-18-16(12)20)15-3-2-8-21-15/h2-10H,1H3
PDB

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US Patent
n/an/a 9n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183396
PNG
(US9145419, 3)
Show SMILES CC(=O)c1ccccc1-c1cnc2c(ccnn12)-c1cnccc1C
Show InChI InChI=1S/C20H16N4O/c1-13-7-9-21-11-18(13)17-8-10-23-24-19(12-22-20(17)24)16-6-4-3-5-15(16)14(2)25/h3-12H,1-2H3
PDB

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n/an/a 16n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183395
PNG
(US9145419, 1)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c1-13-7-9-19-11-16(13)15-8-10-21-22-17(12-20-18(15)22)14-5-3-2-4-6-14/h2-12H,1H3
PDB

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US Patent
n/an/a 41n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183397
PNG
(US9145419, 7)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN4/c1-12-6-8-20-10-16(12)15-7-9-22-23-17(11-21-18(15)23)13-2-4-14(19)5-3-13/h2-11H,1H3
PDB

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US Patent
n/an/a 56n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183399
PNG
(US9145419, 11)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClN4/c1-12-5-7-20-10-16(12)15-6-8-22-23-17(11-21-18(15)23)13-3-2-4-14(19)9-13/h2-11H,1H3
PDB

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US Patent
n/an/a 97n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183398
PNG
(US9145419, 9)
Show SMILES Cc1cccc(c1)-c1cnc2c(ccnn12)-c1cnccc1C
Show InChI InChI=1S/C19H16N4/c1-13-4-3-5-15(10-13)18-12-21-19-16(7-9-22-23(18)19)17-11-20-8-6-14(17)2/h3-12H,1-2H3
PDB

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US Patent
n/an/a 120n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183403
PNG
(US9145419, 37)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4/c1-12-5-7-23-10-16(12)15-6-8-25-26-17(11-24-18(15)26)13-3-2-4-14(9-13)19(20,21)22/h2-11H,1H3
PDB

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US Patent
n/an/a 129n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183404
PNG
(US9145419, 38)
Show SMILES Cc1cc(C)cc(c1)-c1cnc2c(ccnn12)-c1cnccc1C
Show InChI InChI=1S/C20H18N4/c1-13-8-14(2)10-16(9-13)19-12-22-20-17(5-7-23-24(19)20)18-11-21-6-4-15(18)3/h4-12H,1-3H3
PDB

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US Patent
n/an/a 279n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183400
PNG
(US9145419, 26)
Show SMILES Fc1ccc(cc1)-c1cnc2c(ccnn12)-c1cccnc1
Show InChI InChI=1S/C17H11FN4/c18-14-5-3-12(4-6-14)16-11-20-17-15(7-9-21-22(16)17)13-2-1-8-19-10-13/h1-11H
PDB

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US Patent
n/an/a 524n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM183401
PNG
(US9145419, 34)
Show SMILES Cc1ccncc1-c1ccnn2c(cnc12)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H12Cl2N4/c1-11-2-4-21-9-16(11)15-3-5-23-24-17(10-22-18(15)24)12-6-13(19)8-14(20)7-12/h2-10H,1H3
PDB

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US Patent
n/an/a 664n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


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


US Patent US9145419 (2015)


BindingDB Entry DOI: 10.7270/Q208643N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%