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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 7171   
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
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179403
PNG
(US9126973, 8)
Show SMILES Fc1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-16-8-4-7-14(9-16)19-23-12-17(24-19)15-10-21-18(22-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24)
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n/an/a 4n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179422
PNG
(US9126973, 19)
Show SMILES C(N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5/c1-3-7-19(8-4-1)18-30-13-11-21(12-14-30)25-28-17-23(29-25)22-15-26-24(27-16-22)20-9-5-2-6-10-20/h1-10,15-17,21H,11-14,18H2,(H,28,29)
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n/an/a 6n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179375
PNG
(US9126973, 1)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)18-20-11-16(12-21-18)17-13-22-19(23-17)15-9-5-2-6-10-15/h1-13H,(H,22,23)
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n/an/a 12n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179408
PNG
(US9126973, 10)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-12H,(H,22,23)
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n/an/a 21n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179418
PNG
(US9126973, 15)
Show SMILES C(=C/c1cccnc1)\c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H15N5/c1-2-6-16(7-3-1)20-23-12-17(13-24-20)18-14-22-19(25-18)9-8-15-5-4-10-21-11-15/h1-14H,(H,22,25)/b9-8+
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n/an/a 23n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179409
PNG
(US9126973, 11)
Show SMILES Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
Show InChI InChI=1S/C18H12FN5/c19-15-5-1-3-12(7-15)17-21-9-14(10-22-17)16-11-23-18(24-16)13-4-2-6-20-8-13/h1-11H,(H,23,24)
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n/an/a 41n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179401
PNG
(US9126973, 6)
Show SMILES Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-16-8-4-7-14(9-16)18-21-10-15(11-22-18)17-12-23-19(24-17)13-5-2-1-3-6-13/h1-12H,(H,23,24)
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n/an/a 47n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179407
PNG
(US9126973, 9)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C18H13N5/c1-2-6-13(7-3-1)17-20-10-14(11-21-17)16-12-22-18(23-16)15-8-4-5-9-19-15/h1-12H,(H,22,23)
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n/an/a 53n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179412
PNG
(US9126973, 14)
Show SMILES C(c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-3-7-15(8-4-1)11-19-21-14-18(24-19)17-12-22-20(23-13-17)16-9-5-2-6-10-16/h1-10,12-14H,11H2,(H,21,24)
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n/an/a 59n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179411
PNG
(US9126973, 13)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C18H13N5/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-6-8-19-9-7-14/h1-12H,(H,22,23)
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n/an/a 75n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179408
PNG
(US9126973, 10)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-12H,(H,22,23)
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n/an/a 79n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179422
PNG
(US9126973, 19)
Show SMILES C(N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5/c1-3-7-19(8-4-1)18-30-13-11-21(12-14-30)25-28-17-23(29-25)22-15-26-24(27-16-22)20-9-5-2-6-10-20/h1-10,15-17,21H,11-14,18H2,(H,28,29)
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n/an/a 80n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179382
PNG
(US9126973, 4)
Show SMILES Cc1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-14-18(24-20(23-14)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-13H,1H3,(H,23,24)
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n/an/a 82n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179473
PNG
(US9126973, 49)
Show SMILES c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5/c1-3-7-13(8-4-1)16-19-11-15(12-20-16)18-21-17(22-23-18)14-9-5-2-6-10-14/h1-12H,(H,21,22,23)
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n/an/a 84n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179432
PNG
(US9126973, 27)
Show SMILES FC(F)(F)C(=O)N1CCCC(C1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1/C20H18F3N5O/c21-20(22,23)19(29)28-8-4-7-14(12-28)18-26-11-16(27-18)15-9-24-17(25-10-15)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2,(H,26,27)
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n/an/a 90n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179380
PNG
(US9126973, 2)
Show SMILES c1nc([nH]c1-c1ccc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3/c1-3-7-15(8-4-1)18-12-11-17(13-21-18)19-14-22-20(23-19)16-9-5-2-6-10-16/h1-14H,(H,22,23)
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n/an/a 97n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179411
PNG
(US9126973, 13)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C18H13N5/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-6-8-19-9-7-14/h1-12H,(H,22,23)
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n/an/a 125n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179407
PNG
(US9126973, 9)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C18H13N5/c1-2-6-13(7-3-1)17-20-10-14(11-21-17)16-12-22-18(23-16)15-8-4-5-9-19-15/h1-12H,(H,22,23)
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n/an/a 125n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179479
PNG
(US9126973, 54)
Show SMILES CCOC(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
Show InChI InChI=1S/C16H14N4O3/c1-2-22-15(21)14-8-13(19-20-14)11-9-17-16(18-10-11)23-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,19,20)
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n/an/a 130n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179420
PNG
(US9126973, 17)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)30-22(29)28-11-9-17(10-12-28)21-26-15-19(27-21)18-13-24-20(25-14-18)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,26,27)
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n/an/a 150n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179418
PNG
(US9126973, 15)
Show SMILES C(=C/c1cccnc1)\c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H15N5/c1-2-6-16(7-3-1)20-23-12-17(13-24-20)18-14-22-19(25-18)9-8-15-5-4-10-21-11-15/h1-14H,(H,22,25)/b9-8+
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n/an/a 150n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179487
PNG
(US9126973, 59)
Show SMILES c1sc(nc1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H12N4S/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-7-4-8-19-9-14/h1-12H
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n/an/a 150n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179433
PNG
(US9126973, 28)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1/C22H25N5O2/c1-22(2,3)29-21(28)27-10-9-16(14-27)20-25-13-18(26-20)17-11-23-19(24-12-17)15-7-5-4-6-8-15/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,26)
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n/an/a 150n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179409
PNG
(US9126973, 11)
Show SMILES Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
Show InChI InChI=1S/C18H12FN5/c19-15-5-1-3-12(7-15)17-21-9-14(10-22-17)16-11-23-18(24-16)13-4-2-6-20-8-13/h1-11H,(H,23,24)
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n/an/a 156n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179403
PNG
(US9126973, 8)
Show SMILES Fc1cccc(c1)-c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-16-8-4-7-14(9-16)19-23-12-17(24-19)15-10-21-18(22-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24)
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n/an/a 188n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179426
PNG
(US9126973, 21)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1/C23H27N5O2/c1-23(2,3)30-22(29)28-11-7-10-17(15-28)21-26-14-19(27-21)18-12-24-20(25-13-18)16-8-5-4-6-9-16/h4-6,8-9,12-14,17H,7,10-11,15H2,1-3H3,(H,26,27)
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n/an/a 200n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179375
PNG
(US9126973, 1)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)18-20-11-16(12-21-18)17-13-22-19(23-17)15-9-5-2-6-10-15/h1-13H,(H,22,23)
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n/an/a 250n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179381
PNG
(US9126973, 3)
Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3
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n/an/a 250n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179401
PNG
(US9126973, 6)
Show SMILES Fc1cccc(c1)-c1ncc(cn1)-c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-16-8-4-7-14(9-16)18-21-10-15(11-22-18)17-12-23-19(24-17)13-5-2-1-3-6-13/h1-12H,(H,23,24)
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n/an/a 280n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179419
PNG
(US9126973, 16)
Show SMILES C(Cc1cccnc1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H17N5/c1-2-6-16(7-3-1)20-23-12-17(13-24-20)18-14-22-19(25-18)9-8-15-5-4-10-21-11-15/h1-7,10-14H,8-9H2,(H,22,25)
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n/an/a 300n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179430
PNG
(US9126973, 25)
Show SMILES CNC(=O)N1CCCC(C1)c1nc(cn1C(=O)NC)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1/C22H25N7O2/c1-23-21(30)28-10-6-9-16(13-28)20-27-18(14-29(20)22(31)24-2)17-11-25-19(26-12-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3,(H,23,30)(H,24,31)
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n/an/a 300n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179456
PNG
(US9126973, 40)
Show SMILES O(c1ccccc1)c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N5O/c1-2-6-15(7-3-1)24-18-21-10-14(11-22-18)16-12-20-17(23-16)13-5-4-8-19-9-13/h1-12H,(H,20,23)
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n/an/a 370n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179484
PNG
(US9126973, 57)
Show SMILES CN1CCN(CC1)C(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
Show InChI InChI=1S/C19H20N6O2/c1-24-7-9-25(10-8-24)18(26)17-11-16(22-23-17)14-12-20-19(21-13-14)27-15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,22,23)
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n/an/a 420n/an/an/an/a8.025



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2,...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179382
PNG
(US9126973, 4)
Show SMILES Cc1nc([nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-14-18(24-20(23-14)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-13H,1H3,(H,23,24)
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n/an/a 450n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179425
PNG
(US9126973, 20)
Show SMILES O=C(N1CCC(CC1)c1nc(c[nH]1)-c1cnc(nc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H22N6O/c31-24(19-7-4-10-25-13-19)30-11-8-18(9-12-30)23-28-16-21(29-23)20-14-26-22(27-15-20)17-5-2-1-3-6-17/h1-7,10,13-16,18H,8-9,11-12H2,(H,28,29)
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n/an/a 450n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179380
PNG
(US9126973, 2)
Show SMILES c1nc([nH]c1-c1ccc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3/c1-3-7-15(8-4-1)18-12-11-17(13-21-18)19-14-22-20(23-19)16-9-5-2-6-10-16/h1-14H,(H,22,23)
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n/an/a 480n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179428
PNG
(US9126973, 23)
Show SMILES C(N1CCCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1/C25H25N5/c1-3-8-19(9-4-1)17-30-13-7-12-21(18-30)25-28-16-23(29-25)22-14-26-24(27-15-22)20-10-5-2-6-11-20/h1-6,8-11,14-16,21H,7,12-13,17-18H2,(H,28,29)
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n/an/a 600n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179412
PNG
(US9126973, 14)
Show SMILES C(c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-3-7-15(8-4-1)11-19-21-14-18(24-19)17-12-22-20(23-13-17)16-9-5-2-6-10-16/h1-10,12-14H,11H2,(H,21,24)
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n/an/a 625n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179381
PNG
(US9126973, 3)
Show SMILES Cn1c(cnc1-c1ccccc1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-24-18(14-23-20(24)16-10-6-3-7-11-16)17-12-21-19(22-13-17)15-8-4-2-5-9-15/h2-14H,1H3
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n/an/a 625n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179456
PNG
(US9126973, 40)
Show SMILES O(c1ccccc1)c1ncc(cn1)-c1cnc([nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N5O/c1-2-6-15(7-3-1)24-18-21-10-14(11-22-18)16-12-20-17(23-16)13-5-4-8-19-9-13/h1-12H,(H,20,23)
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n/an/a 625n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179484
PNG
(US9126973, 57)
Show SMILES CN1CCN(CC1)C(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
Show InChI InChI=1S/C19H20N6O2/c1-24-7-9-25(10-8-24)18(26)17-11-16(22-23-17)14-12-20-19(21-13-14)27-15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,22,23)
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n/an/a 650n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179421
PNG
(US9126973, 18)
Show SMILES C1CC(CCN1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C18H19N5/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179487
PNG
(US9126973, 59)
Show SMILES c1sc(nc1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H12N4S/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-7-4-8-19-9-14/h1-12H
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n/an/a 1.00E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179473
PNG
(US9126973, 49)
Show SMILES c1ccc(cc1)-c1nnc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5/c1-3-7-13(8-4-1)16-19-11-15(12-20-16)18-21-17(22-23-18)14-9-5-2-6-10-14/h1-12H,(H,21,22,23)
PDB
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UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179495
PNG
(US9126973, 63)
Show SMILES OC(=O)c1csc(n1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1S/C14H9N3O2S/c18-14(19)11-8-20-13(17-11)10-6-15-12(16-7-10)9-4-2-1-3-5-9/h1-8H,(H,18,19)
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US Patent
n/an/a 1.10E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179427
PNG
(US9126973, 22)
Show SMILES C1CNCC(C1)c1ncc([nH]1)-c1cnc(nc1)-c1ccccc1
Show InChI InChI=1/C18H19N5/c1-2-5-13(6-3-1)17-20-10-15(11-21-17)16-12-22-18(23-16)14-7-4-8-19-9-14/h1-3,5-6,10-12,14,19H,4,7-9H2,(H,22,23)
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US Patent
n/an/a 1.25E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179479
PNG
(US9126973, 54)
Show SMILES CCOC(=O)c1cc([nH]n1)-c1cnc(Oc2ccccc2)nc1
Show InChI InChI=1S/C16H14N4O3/c1-2-22-15(21)14-8-13(19-20-14)11-9-17-16(18-10-11)23-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,19,20)
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US Patent
n/an/a 1.30E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179478
PNG
(US9126973, 53)
Show SMILES c1c(n[nH]c1-c1cnc(nc1)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13N5/c1-2-5-13(6-3-1)18-20-11-15(12-21-18)17-9-16(22-23-17)14-7-4-8-19-10-14/h1-12H,(H,22,23)
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US Patent
n/an/a 1.30E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179410
PNG
(US9126973, 12)
Show SMILES c1nc([nH]c1-c1cnc(nc1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C17H12N6/c1-3-12(7-18-5-1)16-20-9-14(10-21-16)15-11-22-17(23-15)13-4-2-6-19-8-13/h1-11H,(H,22,23)
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US Patent
n/an/a 1.30E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM179467
PNG
(US9126973, 45)
Show SMILES c1c(n[nH]c1-c1cnc(nc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)17-11-18(23-22-17)16-12-20-19(21-13-16)15-9-5-2-6-10-15/h1-13H,(H,22,23)
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US Patent
n/an/a 1.50E+3n/an/an/an/an/a25



CAYMAN CHEMICAL COMPANY, INCORPORATED

US Patent


Assay Description
This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-P...


US Patent US9126973 (2015)


BindingDB Entry DOI: 10.7270/Q2930RZ3
More data for this
Ligand-Target Pair
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