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Patent code US9512169

Compile Data Set for Download or QSAR
Found 23 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
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258453
PNG
(US9512169, 7)
Show SMILES Cc1cc(cnn1)C1=CC[C@H]2[C@@H]3CCc4cc(OCC(O)=O)ccc4[C@H]3CC[C@]12C |r,t:8|
Show InChI InChI=1S/C25H28N2O3/c1-15-11-17(13-26-27-15)22-7-8-23-21-5-3-16-12-18(30-14-24(28)29)4-6-19(16)20(21)9-10-25(22,23)2/h4,6-7,11-13,20-21,23H,3,5,8-10,14H2,1-2H3,(H,28,29)/t20-,21-,23+,25-/m1/s1
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US Patent
n/an/a 1.40n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258457
PNG
(US9512169, 11)
Show SMILES CCC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:15|
Show InChI InChI=1S/C27H30FNO3/c1-3-25(26(30)31)32-19-5-7-20-16(13-19)4-6-22-21(20)10-11-27(2)23(8-9-24(22)27)17-12-18(28)15-29-14-17/h5,7-8,12-15,21-22,24-25H,3-4,6,9-11H2,1-2H3,(H,30,31)/t21-,22-,24+,25?,27-/m1/s1
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n/an/a 2.5n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258456
PNG
(US9512169, 10)
Show SMILES CC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:14|
Show InChI InChI=1S/C26H28FNO3/c1-15(25(29)30)31-19-4-6-20-16(12-19)3-5-22-21(20)9-10-26(2)23(7-8-24(22)26)17-11-18(27)14-28-13-17/h4,6-7,11-15,21-22,24H,3,5,8-10H2,1-2H3,(H,29,30)/t15?,21-,22-,24+,26-/m1/s1
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n/an/a 2.70n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258459
PNG
(US9512169, 13)
Show SMILES CC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cccnc4)[C@@H]3CCc2c1)C(O)=O |r,c:14|
Show InChI InChI=1S/C26H29NO3/c1-16(25(28)29)30-19-6-8-20-17(14-19)5-7-22-21(20)11-12-26(2)23(9-10-24(22)26)18-4-3-13-27-15-18/h3-4,6,8-9,13-16,21-22,24H,5,7,10-12H2,1-2H3,(H,28,29)/t16?,21-,22-,24+,26-/m1/s1
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n/an/a 2.80n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258458
PNG
(US9512169, 12)
Show SMILES COCC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C27H30FNO4/c1-27-10-9-21-20-6-4-19(33-25(15-32-2)26(30)31)12-16(20)3-5-22(21)24(27)8-7-23(27)17-11-18(28)14-29-13-17/h4,6-7,11-14,21-22,24-25H,3,5,8-10,15H2,1-2H3,(H,30,31)/t21-,22-,24+,25?,27-/m1/s1
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n/an/a 4n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258447
PNG
(US9512169, 1)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:24|
Show InChI InChI=1S/C26H28FNO2/c1-26-11-10-21-20-5-2-16(3-9-25(29)30)12-17(20)4-6-22(21)24(26)8-7-23(26)18-13-19(27)15-28-14-18/h2,5,7,12-15,21-22,24H,3-4,6,8-11H2,1H3,(H,29,30)/t21-,22-,24+,26-/m1/s1
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n/an/a 7.60n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258447
PNG
(US9512169, 1)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:24|
Show InChI InChI=1S/C26H28FNO2/c1-26-11-10-21-20-5-2-16(3-9-25(29)30)12-17(20)4-6-22(21)24(26)8-7-23(26)18-13-19(27)15-28-14-18/h2,5,7,12-15,21-22,24H,3-4,6,8-11H2,1H3,(H,29,30)/t21-,22-,24+,26-/m1/s1
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n/an/a 8n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258449
PNG
(US9512169, 3)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:24|
Show InChI InChI=1S/C25H26FNO3/c1-25-9-8-20-19-5-3-18(30-14-24(28)29)11-15(19)2-4-21(20)23(25)7-6-22(25)16-10-17(26)13-27-12-16/h3,5-6,10-13,20-21,23H,2,4,7-9,14H2,1H3,(H,28,29)/t20-,21-,23+,25-/m1/s1
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n/an/a 8.60n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258452
PNG
(US9512169, 6)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(c1)C(O)=O |r,c:24|
Show InChI InChI=1S/C26H27NO5/c1-26-9-8-20-19-5-3-18(32-14-24(28)29)11-15(19)2-4-21(20)23(26)7-6-22(26)16-10-17(25(30)31)13-27-12-16/h3,5-6,10-13,20-21,23H,2,4,7-9,14H2,1H3,(H,28,29)(H,30,31)/t20-,21-,23+,26-/m1/s1
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n/an/a 9.20n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258464
PNG
(US9512169, 18)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(C(O)=O)c5ccccc5)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:31|
Show InChI InChI=1S/C31H30FNO3/c1-31-14-13-25-24-10-8-23(36-29(30(34)35)19-5-3-2-4-6-19)16-20(24)7-9-26(25)28(31)12-11-27(31)21-15-22(32)18-33-17-21/h2-6,8,10-11,15-18,25-26,28-29H,7,9,12-14H2,1H3,(H,34,35)/t25-,26-,28+,29?,31-/m1/s1
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n/an/a 10n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258454
PNG
(US9512169, 8)
Show SMILES CC(C)(COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C28H32FNO3/c1-27(2,26(31)32)16-33-20-5-7-21-17(13-20)4-6-23-22(21)10-11-28(3)24(8-9-25(23)28)18-12-19(29)15-30-14-18/h5,7-8,12-15,22-23,25H,4,6,9-11,16H2,1-3H3,(H,31,32)/t22-,23-,25+,28-/m1/s1
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n/an/a 11n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258454
PNG
(US9512169, 8)
Show SMILES CC(C)(COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(O)=O |r,c:16|
Show InChI InChI=1S/C28H32FNO3/c1-27(2,26(31)32)16-33-20-5-7-21-17(13-20)4-6-23-22(21)10-11-28(3)24(8-9-25(23)28)18-12-19(29)15-30-14-18/h5,7-8,12-15,22-23,25H,4,6,9-11,16H2,1-3H3,(H,31,32)/t22-,23-,25+,28-/m1/s1
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n/an/a 12n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258449
PNG
(US9512169, 3)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:24|
Show InChI InChI=1S/C25H26FNO3/c1-25-9-8-20-19-5-3-18(30-14-24(28)29)11-15(19)2-4-21(20)23(25)7-6-22(25)16-10-17(26)13-27-12-16/h3,5-6,10-13,20-21,23H,2,4,7-9,14H2,1H3,(H,28,29)/t20-,21-,23+,25-/m1/s1
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n/an/a 16n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258460
PNG
(US9512169, 14)
Show SMILES CC(Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1)C(N)=O |r,c:14|
Show InChI InChI=1S/C26H29FN2O2/c1-15(25(28)30)31-19-4-6-20-16(12-19)3-5-22-21(20)9-10-26(2)23(7-8-24(22)26)17-11-18(27)14-29-13-17/h4,6-7,11-15,21-22,24H,3,5,8-10H2,1-2H3,(H2,28,30)/t15?,21-,22-,24+,26-/m1/s1
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n/an/a 20n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258448
PNG
(US9512169, 2)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(c1)C(F)(F)F |r,c:24|
Show InChI InChI=1S/C26H26F3NO3/c1-25-9-8-20-19-5-3-18(33-14-24(31)32)11-15(19)2-4-21(20)23(25)7-6-22(25)16-10-17(13-30-12-16)26(27,28)29/h3,5-6,10-13,20-21,23H,2,4,7-9,14H2,1H3,(H,31,32)/t20-,21-,23+,25-/m1/s1
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n/an/a 23n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258463
PNG
(US9512169, 17)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)CO)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:25|
Show InChI InChI=1S/C26H30FNO3/c1-26-9-8-22-21-5-3-20(31-15-19(30)14-29)11-16(21)2-4-23(22)25(26)7-6-24(26)17-10-18(27)13-28-12-17/h3,5-6,10-13,19,22-23,25,29-30H,2,4,7-9,14-15H2,1H3/t19?,22-,23-,25+,26-/m1/s1
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n/an/a 25n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258448
PNG
(US9512169, 2)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(c1)C(F)(F)F |r,c:24|
Show InChI InChI=1S/C26H26F3NO3/c1-25-9-8-20-19-5-3-18(33-14-24(31)32)11-15(19)2-4-21(20)23(25)7-6-22(25)16-10-17(13-30-12-16)26(27,28)29/h3,5-6,10-13,20-21,23H,2,4,7-9,14H2,1H3,(H,31,32)/t20-,21-,23+,25-/m1/s1
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n/an/a 33n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258455
PNG
(US9512169, 9)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCCCC(O)=O)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:26|
Show InChI InChI=1S/C27H30FNO3/c1-27-11-10-22-21-7-5-20(32-12-2-3-26(30)31)14-17(21)4-6-23(22)25(27)9-8-24(27)18-13-19(28)16-29-15-18/h5,7-8,13-16,22-23,25H,2-4,6,9-12H2,1H3,(H,30,31)/t22-,23-,25+,27-/m1/s1
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n/an/a 42n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258465
PNG
(US9512169, 19)
Show SMILES CCNC(=O)COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(c4)C(F)(F)F)[C@@H]3CCc2c1 |r,c:18|
Show InChI InChI=1S/C28H31F3N2O2/c1-3-33-26(34)16-35-20-5-7-21-17(13-20)4-6-23-22(21)10-11-27(2)24(8-9-25(23)27)18-12-19(15-32-14-18)28(29,30)31/h5,7-8,12-15,22-23,25H,3-4,6,9-11,16H2,1-2H3,(H,33,34)/t22-,23-,25+,27-/m1/s1
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n/an/a 53n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258461
PNG
(US9512169, 15)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCCCO)ccc34)[C@@H]1CC=C2c1cncc(F)c1 |r,c:24|
Show InChI InChI=1S/C26H30FNO2/c1-26-10-9-22-21-6-4-20(30-12-2-11-29)14-17(21)3-5-23(22)25(26)8-7-24(26)18-13-19(27)16-28-15-18/h4,6-7,13-16,22-23,25,29H,2-3,5,8-12H2,1H3/t22-,23-,25+,26-/m1/s1
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n/an/a 54n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258451
PNG
(US9512169, 5)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CC=C2c1cncnc1 |r,c:24|
Show InChI InChI=1S/C24H26N2O3/c1-24-9-8-19-18-5-3-17(29-13-23(27)28)10-15(18)2-4-20(19)22(24)7-6-21(24)16-11-25-14-26-12-16/h3,5-6,10-12,14,19-20,22H,2,4,7-9,13H2,1H3,(H,27,28)/t19-,20-,22+,24-/m1/s1
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n/an/a 89n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258462
PNG
(US9512169, 16)
Show SMILES CC(C)(CO)COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:18|
Show InChI InChI=1S/C28H34FNO2/c1-27(2,16-31)17-32-21-5-7-22-18(13-21)4-6-24-23(22)10-11-28(3)25(8-9-26(24)28)19-12-20(29)15-30-14-19/h5,7-8,12-15,23-24,26,31H,4,6,9-11,16-17H2,1-3H3/t23-,24-,26+,28-/m1/s1
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n/an/a 124n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P


(Homo sapiens (Human))		BDBM258450
PNG
(US9512169, 4)
Show SMILES Cc1ccc(cn1)C1=CC[C@H]2[C@@H]3CCc4cc(OCC(O)=O)ccc4[C@H]3CC[C@]12C |r,t:8|
Show InChI InChI=1S/C26H29NO3/c1-16-3-4-18(14-27-16)23-9-10-24-22-7-5-17-13-19(30-15-25(28)29)6-8-20(17)21(22)11-12-26(23,24)2/h3-4,6,8-9,13-14,21-22,24H,5,7,10-12,15H2,1-2H3,(H,28,29)/t21-,22-,24+,26-/m1/s1
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n/an/a 136n/an/an/an/a7.022



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...

US Patent US9512169 (2016)


BindingDB Entry DOI: 10.7270/Q24B3081
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%