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Patent code US9199976

Compile Data Set for Download or QSAR
Found 17 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
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193900
PNG
(US9199976, 12)
Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cccs1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H18N2OS/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)24-22(25)19-10-11-20(23-14-19)21-7-4-12-26-21/h2-15H,1H3,(H,24,25)/t15-/m0/s1
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n/an/a 86n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193910
PNG
(US9199976, 25)
Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cc(C)cs1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H20N2OS/c1-15-11-22(27-14-15)21-10-9-20(13-24-21)23(26)25-16(2)18-8-7-17-5-3-4-6-19(17)12-18/h3-14,16H,1-2H3,(H,25,26)/t16-/m0/s1
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n/an/a 180n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193907
PNG
(US9199976, 21)
Show SMILES Cc1csc(c1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C20H19N3O2S/c1-13-9-18(26-12-13)16-8-7-15(11-22-16)20(25)23-17(19(21)24)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
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n/an/a 380n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193895
PNG
(US9199976, 5)
Show SMILES O=C(NCc1ccccc1)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C17H14N2OS/c20-17(19-11-13-5-2-1-3-6-13)14-8-9-15(18-12-14)16-7-4-10-21-16/h1-10,12H,11H2,(H,19,20)
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n/an/a 597n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193897
PNG
(US9199976, 9)
Show SMILES OC(=O)c1ccc(CNC(=O)c2ccc(nc2)-c2cccs2)cc1
Show InChI InChI=1S/C18H14N2O3S/c21-17(20-10-12-3-5-13(6-4-12)18(22)23)14-7-8-15(19-11-14)16-2-1-9-24-16/h1-9,11H,10H2,(H,20,21)(H,22,23)
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n/an/a 660n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193909
PNG
(US9199976, 24)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1)C(N)=O
Show InChI InChI=1S/C22H22N4O3S/c1-14(20(23)27)25-22(29)18(12-15-6-3-2-4-7-15)26-21(28)16-9-10-17(24-13-16)19-8-5-11-30-19/h2-11,13-14,18H,12H2,1H3,(H2,23,27)(H,25,29)(H,26,28)
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n/an/a 860n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193894
PNG
(US9199976, 3)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1 |r|
Show InChI InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193899
PNG
(US9199976, 11)
Show SMILES O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C22H20N4O2S/c27-21(15-7-8-18(23-14-15)20-6-3-13-29-20)25-11-9-16(10-12-25)26-19-5-2-1-4-17(19)24-22(26)28/h1-8,13-14,16H,9-12H2,(H,24,28)
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n/an/a 1.22E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193898
PNG
(US9199976, 10)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)c2ccc(nc2)-c2cccs2)c2ccccc12
Show InChI InChI=1S/C23H23N3O3S2/c1-31(28,29)26-16-23(18-5-2-3-6-20(18)26)10-12-25(13-11-23)22(27)17-8-9-19(24-15-17)21-7-4-14-30-21/h2-9,14-15H,10-13,16H2,1H3
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n/an/a 1.23E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193903
PNG
(US9199976, 16)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C19H16ClN3O2S/c20-17-9-8-16(26-17)14-7-6-13(11-22-14)19(25)23-15(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,21,24)(H,23,25)/t15-/m0/s1
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n/an/a 1.40E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193902
PNG
(US9199976, 14)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(C=O)s1 |r|
Show InChI InChI=1S/C20H17N3O3S/c21-19(25)17(10-13-4-2-1-3-5-13)23-20(26)14-6-8-16(22-11-14)18-9-7-15(12-24)27-18/h1-9,11-12,17H,10H2,(H2,21,25)(H,23,26)/t17-/m0/s1
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n/an/a 1.70E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193908
PNG
(US9199976, 23)
Show SMILES Cc1ccsc1-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C20H19N3O2S/c1-13-9-10-26-18(13)16-8-7-15(12-22-16)20(25)23-17(19(21)24)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
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n/an/a 1.87E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193896
PNG
(US9199976, 7)
Show SMILES O=C(N1CCC2(CCc3ccccc23)CC1)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C23H22N2OS/c26-22(18-7-8-20(24-16-18)21-6-3-15-27-21)25-13-11-23(12-14-25)10-9-17-4-1-2-5-19(17)23/h1-8,15-16H,9-14H2
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n/an/a 1.97E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193904
PNG
(US9199976, 17)
Show SMILES Cc1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C20H19N3O2S/c1-13-7-10-18(26-13)16-9-8-15(12-22-16)20(25)23-17(19(21)24)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193906
PNG
(US9199976, 19)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1sccc1Cl |r|
Show InChI InChI=1S/C19H16ClN3O2S/c20-14-8-9-26-17(14)15-7-6-13(11-22-15)19(25)23-16(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,21,24)(H,23,25)/t16-/m0/s1
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n/an/a 3.20E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193901
PNG
(US9199976, 13)
Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C23H21N3O3S/c27-22(16-7-8-19(24-14-16)21-6-3-13-30-21)25-11-9-18(10-12-25)26-20-5-2-1-4-17(20)15-29-23(26)28/h1-8,13-14,18H,9-12,15H2
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n/an/a 3.40E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))		BDBM193905
PNG
(US9199976, 18)
Show SMILES CC(=O)c1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C21H19N3O3S/c1-13(25)18-9-10-19(28-18)16-8-7-15(12-23-16)21(27)24-17(20(22)26)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,22,26)(H,24,27)/t17-/m0/s1
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n/an/a 5.10E+3n/an/an/an/a8.0n/a



The University of Queensland

US Patent


Assay Description
The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...

US Patent US9199976 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K9Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%