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Patent code US9266880

Compile Data Set for Download or QSAR
Found 8 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))
BDBM208944
PNG
(US9266880, 2)
Show SMILES Fc1ccc(cc1)-n1ncc2c(ccnc12)-n1ccnc1
Show InChI InChI=1S/C15H10FN5/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(5-6-18-15)20-8-7-17-10-20/h1-10H
PDB

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US Patent
n/an/a 640n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208953
PNG
(US9266880, 8)
Show SMILES Fc1ccc(c(F)c1)-n1ncc2c(ccnc12)-c1cncn2cccc12
Show InChI InChI=1S/C19H11F2N5/c20-12-3-4-18(16(21)8-12)26-19-15(10-24-26)13(5-6-23-19)14-9-22-11-25-7-1-2-17(14)25/h1-11H
PDB

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n/an/a 76n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208951
PNG
(US9266880, 6)
Show SMILES Cn1cncc1-c1ccnc2n(ncc12)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N6O2S/c1-21-10-18-9-15(21)13-5-6-19-16-14(13)8-20-22(16)11-3-2-4-12(7-11)25(17,23)24/h2-10H,1H3,(H2,17,23,24)
PDB

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n/an/a 271n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208952
PNG
(US9266880, 7)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H15N5O2S/c22-29(27,28)16-6-3-5-15(10-16)26-21-20(13-25-26)18(8-9-24-21)19-12-23-11-14-4-1-2-7-17(14)19/h1-13H,(H2,22,27,28)
PDB

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n/an/a 23n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208942
PNG
(US9266880, 1)
Show SMILES Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Show InChI InChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H
PDB

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n/an/a 128n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208945
PNG
(US9266880, 3)
Show SMILES Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ncccc12
Show InChI InChI=1S/C20H12FN5/c21-13-3-5-14(6-4-13)26-20-18(11-25-26)15(7-9-24-20)17-10-22-12-19-16(17)2-1-8-23-19/h1-12H
PDB

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n/an/a 41n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208947
PNG
(US9266880, 4)
Show SMILES Cn1cncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FN5/c1-21-10-18-9-15(21)13-6-7-19-16-14(13)8-20-22(16)12-4-2-11(17)3-5-12/h2-10H,1H3
PDB

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n/an/a 50n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM208948
PNG
(US9266880, 5)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1ncc2c(ccnc12)-c1cncc2ncccc12
Show InChI InChI=1S/C20H14N6O2S/c21-29(27,28)14-4-1-3-13(9-14)26-20-18(11-25-26)15(6-8-24-20)17-10-22-12-19-16(17)5-2-7-23-19/h1-12H,(H2,21,27,28)
PDB

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PC cid
PC sid
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US Patent
n/an/a 206n/an/an/an/a7.24



Bristol-Myers 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 US9266880 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H69
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%