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Patent code US8916553

Compile Data Set for Download or QSAR
Found 45 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))		BDBM140958
PNG
(US8916553, 198)
Show SMILES Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F
Show InChI InChI=1S/C15H15F3N2O3S/c1-10-7-11(20-24(2,21)22)3-4-12(10)13-8-19-6-5-14(13)23-9-15(16,17)18/h3-8,20H,9H2,1-2H3
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n/an/a 1.40n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140963
PNG
(US8916553, 225)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C1CC1
Show InChI InChI=1S/C16H18N2O3S/c1-21-16-9-12(18-22(2,19)20)5-6-14(16)15-10-17-8-7-13(15)11-3-4-11/h5-11,18H,3-4H2,1-2H3
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n/an/a 2.10n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140959
PNG
(US8916553, 217)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C
Show InChI InChI=1S/C14H16N2O3S/c1-10-6-7-15-9-13(10)12-5-4-11(8-14(12)19-2)16-20(3,17)18/h4-9,16H,1-3H3
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n/an/a 2.5n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140936
PNG
(US8916553, 147)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncc2ccccc12
Show InChI InChI=1S/C23H20N2O4S/c1-28-18-8-10-19(11-9-18)30(26,27)25-17-7-12-21(23(13-17)29-2)22-15-24-14-16-5-3-4-6-20(16)22/h3-15,25H,1-2H3
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n/an/a 2.70n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140934
PNG
(US8916553, 143)
Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C22H18N2O3S/c1-27-22-13-17(24-28(25,26)18-8-3-2-4-9-18)11-12-20(22)21-15-23-14-16-7-5-6-10-19(16)21/h2-15,24H,1H3
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n/an/a 2.90n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140964
PNG
(US8916553, 228)
Show SMILES CS(=O)(=O)Nc1ccc(c(OC(F)(F)F)c1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H13F3N2O3S/c1-26(23,24)22-12-6-7-14(16(8-12)25-17(18,19)20)15-10-21-9-11-4-2-3-5-13(11)15/h2-10,22H,1H3
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n/an/a 3.20n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140953
PNG
(US8916553, 173)
Show SMILES COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C19H18ClN3O3S/c1-13-18(10-21-12-22-13)17-8-7-16(9-19(17)26-2)23-27(24,25)11-14-3-5-15(20)6-4-14/h3-10,12,23H,11H2,1-2H3
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n/an/a 3.40n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140946
PNG
(US8916553, 165)
Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C18H17N3O3S/c1-13-17(11-19-12-20-13)16-9-8-14(10-18(16)24-2)21-25(22,23)15-6-4-3-5-7-15/h3-12,21H,1-2H3
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n/an/a 5.40n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140941
PNG
(US8916553, 160)
Show SMILES COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C21H17N3O3S/c1-27-20-12-16(24-28(25,26)21-8-4-5-11-23-21)9-10-18(20)19-14-22-13-15-6-2-3-7-17(15)19/h2-14,24H,1H3
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n/an/a 6n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140940
PNG
(US8916553, 159)
Show SMILES COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C19H18N2O3S/c1-24-19-10-14(21-25(22,23)15-7-8-15)6-9-17(19)18-12-20-11-13-4-2-3-5-16(13)18/h2-6,9-12,15,21H,7-8H2,1H3
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n/an/a 6.20n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140933
PNG
(US8916553, 142)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C17H16N2O3S/c1-22-17-9-13(19-23(2,20)21)7-8-15(17)16-11-18-10-12-5-3-4-6-14(12)16/h3-11,19H,1-2H3
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n/an/a 6.60n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140956
PNG
(US8916553, 184)
Show SMILES Cc1ccncc1-c1ccc(NS(=O)(=O)C2CC2)cc1OCC(F)(F)F
Show InChI InChI=1S/C17H17F3N2O3S/c1-11-6-7-21-9-15(11)14-5-2-12(22-26(23,24)13-3-4-13)8-16(14)25-10-17(18,19)20/h2,5-9,13,22H,3-4,10H2,1H3
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n/an/a 7.70n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140938
PNG
(US8916553, 156)
Show SMILES CCS(=O)(=O)Nc1ccc(c(OC)c1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-3-24(21,22)20-14-8-9-16(18(10-14)23-2)17-12-19-11-13-6-4-5-7-15(13)17/h4-12,20H,3H2,1-2H3
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n/an/a 8.10n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140949
PNG
(US8916553, 168)
Show SMILES COc1cc(NS(=O)(=O)Cc2ccccc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C19H19N3O3S/c1-14-18(11-20-13-21-14)17-9-8-16(10-19(17)25-2)22-26(23,24)12-15-6-4-3-5-7-15/h3-11,13,22H,12H2,1-2H3
PDB

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n/an/a 9.60n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140935
PNG
(US8916553, 144)
Show SMILES COc1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C26H20N2O3S/c1-31-25-15-20(13-14-23(25)24-17-27-16-19-8-3-4-10-21(19)24)28-32(29,30)26-12-6-9-18-7-2-5-11-22(18)26/h2-17,28H,1H3
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n/an/a 11n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140970
PNG
(US8916553, 240)
Show SMILES Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2S/c1-9-5-6-18-8-12(9)11-4-3-10(19-22(2,20)21)7-13(11)14(15,16)17/h3-8,19H,1-2H3
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n/an/a 26n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140937
PNG
(US8916553, 154)
Show SMILES COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C25H19N3O3S/c1-31-23-14-19(11-12-21(23)22-16-26-15-18-6-2-3-9-20(18)22)28-32(29,30)24-10-4-7-17-8-5-13-27-25(17)24/h2-16,28H,1H3
PDB

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n/an/a 27n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140931
PNG
(US8916553, 23)
Show SMILES Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F
Show InChI InChI=1S/C15H16F2N2O3S/c1-10-5-6-18-8-13(10)12-4-3-11(19-23(2,20)21)7-14(12)22-9-15(16)17/h3-8,15,19H,9H2,1-2H3
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n/an/a 32n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140972
PNG
(US8916553, 243)
Show SMILES CS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O2S/c1-24(22,23)21-11-4-5-13(15(8-11)16(17,18)19)14-9-20-7-6-12(14)10-2-3-10/h4-10,21H,2-3H2,1H3
PDB

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n/an/a 39n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140967
PNG
(US8916553, 234)
Show SMILES CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H17FN2O3S/c1-25(22,23)21-14-6-7-16(18(10-14)24-9-8-19)17-12-20-11-13-4-2-3-5-15(13)17/h2-7,10-12,21H,8-9H2,1H3
PDB

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n/an/a 40n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140932
PNG
(US8916553, 24)
Show SMILES Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F
Show InChI InChI=1S/C15H15F3N2O3S/c1-10-5-6-19-8-13(10)12-4-3-11(20-24(2,21)22)7-14(12)23-9-15(16,17)18/h3-8,20H,9H2,1-2H3
PDB

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n/an/a 42n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140971
PNG
(US8916553, 241)
Show SMILES CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-25(23,24)22-12-6-7-14(16(8-12)17(18,19)20)15-10-21-9-11-4-2-3-5-13(11)15/h2-10,22H,1H3
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n/an/a 48n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140960
PNG
(US8916553, 218)
Show SMILES CCc1ncncc1-c1ccc(NS(C)(=O)=O)cc1OC
Show InChI InChI=1S/C14H17N3O3S/c1-4-13-12(8-15-9-16-13)11-6-5-10(7-14(11)20-2)17-21(3,18)19/h5-9,17H,4H2,1-3H3
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n/an/a 49n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140969
PNG
(US8916553, 239)
Show SMILES CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cncc2ncccc12
Show InChI InChI=1S/C17H16FN3O3S/c1-25(22,23)21-12-4-5-14(17(9-12)24-8-6-18)15-10-19-11-16-13(15)3-2-7-20-16/h2-5,7,9-11,21H,6,8H2,1H3
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n/an/a 51n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140957
PNG
(US8916553, 195)
Show SMILES Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1Cl
Show InChI InChI=1S/C13H13ClN2O2S/c1-9-7-10(16-19(2,17)18)3-4-11(9)12-8-15-6-5-13(12)14/h3-8,16H,1-2H3
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n/an/a 52n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140966
PNG
(US8916553, 233)
Show SMILES COc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F
Show InChI InChI=1S/C15H15F3N2O4S/c1-23-13-5-6-19-8-12(13)11-4-3-10(20-25(2,21)22)7-14(11)24-9-15(16,17)18/h3-8,20H,9H2,1-2H3
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n/an/a 56n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140951
PNG
(US8916553, 170)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
Show InChI InChI=1S/C19H19N3O4S/c1-13-18(11-20-12-21-13)17-9-4-14(10-19(17)26-3)22-27(23,24)16-7-5-15(25-2)6-8-16/h4-12,22H,1-3H3
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n/an/a 56n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140973
PNG
(US8916553, 245)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1OC
Show InChI InChI=1S/C13H15N3O4S/c1-19-12-6-9(16-21(3,17)18)4-5-10(12)11-7-14-8-15-13(11)20-2/h4-8,16H,1-3H3
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n/an/a 57n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140965
PNG
(US8916553, 232)
Show SMILES CS(=O)(=O)Nc1ccc(c(OCC(F)(F)F)c1)-c1cncc2ccccc12
Show InChI InChI=1S/C18H15F3N2O3S/c1-27(24,25)23-13-6-7-15(17(8-13)26-11-18(19,20)21)16-10-22-9-12-4-2-3-5-14(12)16/h2-10,23H,11H2,1H3
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n/an/a 59n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140954
PNG
(US8916553, 175)
Show SMILES COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1-c1cncnc1C
Show InChI InChI=1S/C22H19N3O3S/c1-15-21(13-23-14-24-15)20-10-8-18(12-22(20)28-2)25-29(26,27)19-9-7-16-5-3-4-6-17(16)11-19/h3-14,25H,1-2H3
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n/an/a 59n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140945
PNG
(US8916553, 164)
Show SMILES COc1cc(NS(=O)(=O)CC(C)C)ccc1-c1cncnc1C
Show InChI InChI=1S/C16H21N3O3S/c1-11(2)9-23(20,21)19-13-5-6-14(16(7-13)22-4)15-8-17-10-18-12(15)3/h5-8,10-11,19H,9H2,1-4H3
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n/an/a 100n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140962
PNG
(US8916553, 221)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1
Show InChI InChI=1S/C18H23N3O3S/c1-24-17-10-14(21-25(2,22)23)8-9-15(17)16-11-19-12-20-18(16)13-6-4-3-5-7-13/h8-13,21H,3-7H2,1-2H3
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n/an/a 100n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140961
PNG
(US8916553, 220)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C(C)C
Show InChI InChI=1S/C15H19N3O3S/c1-10(2)15-13(8-16-9-17-15)12-6-5-11(7-14(12)21-3)18-22(4,19)20/h5-10,18H,1-4H3
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n/an/a 103n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140930
PNG
(US8916553, 12)
Show SMILES Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1-c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-14-12-16(21-24(2,22)23)8-9-17(14)19-13-20-11-10-18(19)15-6-4-3-5-7-15/h3-13,21H,1-2H3
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n/an/a 104n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140942
PNG
(US8916553, 161)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C
Show InChI InChI=1S/C13H15N3O3S/c1-9-12(7-14-8-15-9)11-5-4-10(6-13(11)19-2)16-20(3,17)18/h4-8,16H,1-3H3
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n/an/a 112n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140952
PNG
(US8916553, 172)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C18H16ClN3O3S/c1-12-17(10-20-11-21-12)16-8-5-14(9-18(16)25-2)22-26(23,24)15-6-3-13(19)4-7-15/h3-11,22H,1-2H3
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n/an/a 117n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140939
PNG
(US8916553, 158)
Show SMILES COc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1-c1cncc2ccccc12
Show InChI InChI=1S/C21H20N4O3S/c1-14-23-21(13-25(14)2)29(26,27)24-16-8-9-18(20(10-16)28-3)19-12-22-11-15-6-4-5-7-17(15)19/h4-13,24H,1-3H3
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n/an/a 118n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140955
PNG
(US8916553, 176)
Show SMILES COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1-c1cncnc1C
Show InChI InChI=1S/C21H18N4O3S/c1-14-18(12-22-13-24-14)17-9-8-16(11-19(17)28-2)25-29(26,27)20-7-3-5-15-6-4-10-23-21(15)20/h3-13,25H,1-2H3
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n/an/a 118n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140950
PNG
(US8916553, 169)
Show SMILES COc1cc(NS(=O)(=O)CCc2ccccc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C20H21N3O3S/c1-15-19(13-21-14-22-15)18-9-8-17(12-20(18)26-2)23-27(24,25)11-10-16-6-4-3-5-7-16/h3-9,12-14,23H,10-11H2,1-2H3
PDB

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n/an/a 119n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140974
PNG
(US8916553, 250)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1-c1cncn2cccc12
Show InChI InChI=1S/C15H15N3O3S/c1-21-15-8-11(17-22(2,19)20)5-6-12(15)13-9-16-10-18-7-3-4-14(13)18/h3-10,17H,1-2H3
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n/an/a 120n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140947
PNG
(US8916553, 166)
Show SMILES COc1cc(NS(=O)(=O)c2cccnc2)ccc1-c1cncnc1C
Show InChI InChI=1S/C17H16N4O3S/c1-12-16(10-19-11-20-12)15-6-5-13(8-17(15)24-2)21-25(22,23)14-4-3-7-18-9-14/h3-11,21H,1-2H3
PDB

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n/an/a 131n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140944
PNG
(US8916553, 163)
Show SMILES CCCS(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
Show InChI InChI=1S/C15H19N3O3S/c1-4-7-22(19,20)18-12-5-6-13(15(8-12)21-3)14-9-16-10-17-11(14)2/h5-6,8-10,18H,4,7H2,1-3H3
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n/an/a 134n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140948
PNG
(US8916553, 167)
Show SMILES COc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1cncnc1C
Show InChI InChI=1S/C14H14F3N3O3S/c1-9-12(6-18-8-19-9)11-4-3-10(5-13(11)23-2)20-24(21,22)7-14(15,16)17/h3-6,8,20H,7H2,1-2H3
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n/an/a 158n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140943
PNG
(US8916553, 162)
Show SMILES COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncnc1C
Show InChI InChI=1S/C15H17N3O3S/c1-10-14(8-16-9-17-10)13-6-3-11(7-15(13)21-2)18-22(19,20)12-4-5-12/h3,6-9,12,18H,4-5H2,1-2H3
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n/an/a 169n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM140968
PNG
(US8916553, 236)
Show SMILES CS(=O)(=O)Nc1ccc(c(OCCF)c1)-c1cnccc1Cl
Show InChI InChI=1S/C14H14ClFN2O3S/c1-22(19,20)18-10-2-3-11(14(8-10)21-7-5-16)12-9-17-6-4-13(12)15/h2-4,6,8-9,18H,5,7H2,1H3
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n/an/a 174n/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 US8916553 (2014)


BindingDB Entry DOI: 10.7270/Q2XP73N9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%