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Patent code US9617242

Compile Data Set for Download or QSAR

Found 237 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
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277752
PNG
(3-({1-[4-(dimethylamino)but-2-yn-1-yl]-5-fluoro- 1...)
Show SMILES CN(C)CC#CCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277753
PNG
(3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H20FN5O2/c20-13-3-4-17-15(11-13)18(22-16-12-21-6-5-14(16)19(26)27)23-25(17)10-9-24-7-1-2-8-24/h3-6,11-12H,1-2,7-10H2,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277754
PNG
(3-{[5-fluoro-1-(2-hydroxypropyl)-1H-indazol-3-yl]a...)
Show SMILES CC(O)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O3/c1-9(22)8-21-14-3-2-10(17)6-12(14)15(20-21)19-13-7-18-5-4-11(13)16(23)24/h2-7,9,22H,8H2,1H3,(H,19,20)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM191602
PNG
(3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...)
Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12
Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277756
PNG
(3-[(5-cyano-1H-indol-3-yl)amino]pyridine-4-carboxy...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C#N
Show InChI InChI=1S/C17H15N5O2/c1-2-7-22-15-4-3-11(9-18)8-13(15)16(21-22)20-14-10-19-6-5-12(14)17(23)24/h3-6,8,10H,2,7H2,1H3,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277757
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277757
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277764
PNG
(3-({5-fluoro-1-[(3S)-pyrrolidin-3-yl]-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H16FN5O2/c18-10-1-2-15-13(7-10)16(22-23(15)11-3-5-19-8-11)21-14-9-20-6-4-12(14)17(24)25/h1-2,4,6-7,9,11,19H,3,5,8H2,(H,21,22)(H,24,25)/t11-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277766
PNG
(3-{[5-fluoro-1-(tetrahydro-2H-pyran-3-yl)-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O3/c19-11-3-4-16-14(8-11)17(22-23(16)12-2-1-7-26-10-12)21-15-9-20-6-5-13(15)18(24)25/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277768
PNG
(3-{[1-(tetrahydrofuran-3-yl)-4,5,6,7-tetrahydro-1H...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2CCCCc12
Show InChI InChI=1S/C17H20N4O3/c22-17(23)12-5-7-18-9-14(12)19-16-13-3-1-2-4-15(13)21(20-16)11-6-8-24-10-11/h5,7,9,11H,1-4,6,8,10H2,(H,19,20)(H,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277779
PNG
(N-cyano-3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN7O/c1-27(2)9-3-4-10-28-18-6-5-14(21)11-16(18)19(26-28)25-17-12-23-8-7-15(17)20(29)24-13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277708
PNG
(3-[(1,6-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-11-13(7-9)19(2)18-14(11)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277712
PNG
(3-[(1-propyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277720
PNG
(3-{[5-fluoro-1-(methoxypropyl)-1H-indazol-3-yl]ami...)
Show SMILES COCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O3/c1-25-8-2-7-22-15-4-3-11(18)9-13(15)16(21-22)20-14-10-19-6-5-12(14)17(23)24/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277720
PNG
(3-{[5-fluoro-1-(methoxypropyl)-1H-indazol-3-yl]ami...)
Show SMILES COCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O3/c1-25-8-2-7-22-15-4-3-11(18)9-13(15)16(21-22)20-14-10-19-6-5-12(14)17(23)24/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277730
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-fluoro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277733
PNG
(3-{[1-(cyclopentylmethyl)-5-fluoro-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H19FN4O2/c20-13-5-6-17-15(9-13)18(23-24(17)11-12-3-1-2-4-12)22-16-10-21-8-7-14(16)19(25)26/h5-10,12H,1-4,11H2,(H,22,23)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277739
PNG
(3-[(1-ethyl-5-methyl-1H-indazol-3-yl)amino]pyridin...)
Show SMILES CCn1nc(Nc2cnccc2C(O)=O)c2cc(C)ccc12
Show InChI InChI=1S/C16H16N4O2/c1-3-20-14-5-4-10(2)8-12(14)15(19-20)18-13-9-17-7-6-11(13)16(21)22/h4-9H,3H2,1-2H3,(H,18,19)(H,21,22)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277741
PNG
(3-[(5-methyl-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(C)ccc12
Show InChI InChI=1S/C17H18N4O2/c1-3-8-21-15-5-4-11(2)9-13(15)16(20-21)19-14-10-18-7-6-12(14)17(22)23/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)(H,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277742
PNG
(3-{[5-methyl-1-(3,3,3-trifluoropropyl)-1H-indazol-...)
Show SMILES Cc1ccc2n(CCC(F)(F)F)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C17H15F3N4O2/c1-10-2-3-14-12(8-10)15(23-24(14)7-5-17(18,19)20)22-13-9-21-6-4-11(13)16(25)26/h2-4,6,8-9H,5,7H2,1H3,(H,22,23)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277743
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-chloro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277747
PNG
(3-{[5-fluoro-1-(5-hydroxypentyl)-1H-indazol-3-yl]a...)
Show SMILES OCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O3/c19-12-4-5-16-14(10-12)17(22-23(16)8-2-1-3-9-24)21-15-11-20-7-6-13(15)18(25)26/h4-7,10-11,24H,1-3,8-9H2,(H,21,22)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277749
PNG
(3-({5-fluoro-1-[5-(methylamino)pentyl]-1H-indazol-...)
Show SMILES CNCCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O2/c1-21-8-3-2-4-10-25-17-6-5-13(20)11-15(17)18(24-25)23-16-12-22-9-7-14(16)19(26)27/h5-7,9,11-12,21H,2-4,8,10H2,1H3,(H,23,24)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277758
PNG
(3-{[5-fluoro-1-(3,3,3-trifluoro-2-hydroxypropyl)-1...)
Show SMILES OC(Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12)C(F)(F)F
Show InChI InChI=1S/C16H12F4N4O3/c17-8-1-2-12-10(5-8)14(23-24(12)7-13(25)16(18,19)20)22-11-6-21-4-3-9(11)15(26)27/h1-6,13,25H,7H2,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277759
PNG
(3-({5-fluoro-1-[2-(morpholin-1-yl)ethyl]-1H-indazo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCOCC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H20FN5O3/c20-13-1-2-17-15(11-13)18(22-16-12-21-4-3-14(16)19(26)27)23-25(17)6-5-24-7-9-28-10-8-24/h1-4,11-12H,5-10H2,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277763
PNG
(3-({5-fluoro-1-[(3S)-pyrrolidin-3-yl]-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@H]2CCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H16FN5O2/c18-10-1-2-15-13(7-10)16(22-23(15)11-3-5-19-8-11)21-14-9-20-6-4-12(14)17(24)25/h1-2,4,6-7,9,11,19H,3,5,8H2,(H,21,22)(H,24,25)/t11-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277766
PNG
(3-{[5-fluoro-1-(tetrahydro-2H-pyran-3-yl)-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O3/c19-11-3-4-16-14(8-11)17(22-23(16)12-2-1-7-26-10-12)21-15-9-20-6-5-13(15)18(24)25/h3-6,8-9,12H,1-2,7,10H2,(H,21,22)(H,24,25)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277773
PNG
(N-cyano-3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]...)
Show SMILES Fc1ccc2n(nc(Nc3cnccc3C(=O)NC#N)c2c1)[C@H]1CCOC1
Show InChI InChI=1S/C18H15FN6O2/c19-11-1-2-16-14(7-11)17(24-25(16)12-4-6-27-9-12)23-15-8-21-5-3-13(15)18(26)22-10-20/h1-3,5,7-8,12H,4,6,9H2,(H,22,26)(H,23,24)/t12-/m0/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277710
PNG
(3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277714
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-1H-indazo...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3/c1-23(2)9-11-27-12-10-24-17-6-4-3-5-15(17)18(22-24)21-16-13-20-8-7-14(16)19(25)26/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277718
PNG
(3-[(5-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277722
PNG
(3-{[5-fluoro-1-(2-phenethyl)-1H-indazol-3-yl]amino...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCc2ccccc2)c2ccc(F)cc12
Show InChI InChI=1S/C21H17FN4O2/c22-15-6-7-19-17(12-15)20(24-18-13-23-10-8-16(18)21(27)28)25-26(19)11-9-14-4-2-1-3-5-14/h1-8,10,12-13H,9,11H2,(H,24,25)(H,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277725
PNG
(3-({1-[2-(dimethylamino)pentyl]-5-fluoro-1H-indazo...)
Show SMILES CN(C)CCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-18-7-6-14(21)12-16(18)19(24-26)23-17-13-22-9-8-15(17)20(27)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277728
PNG
(3-{[5-fluoro-1-(2-methylpropyl)-1H-indazol-3-yl]am...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-10(2)9-22-15-4-3-11(18)7-13(15)16(21-22)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,9H2,1-2H3,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277736
PNG
(3-[(5-chloro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H15ClN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277737
PNG
(3-{[5-chloro-1-(cyclopropylmethyl)-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H15ClN4O2/c18-11-3-4-15-13(7-11)16(21-22(15)9-10-1-2-10)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,1-2,9H2,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277740
PNG
(3-{[1-(cyclopropylmethyl)-5-methyl-1H-indazol-3-yl...)
Show SMILES Cc1ccc2n(CC3CC3)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O2/c1-11-2-5-16-14(8-11)17(21-22(16)10-12-3-4-12)20-15-9-19-7-6-13(15)18(23)24/h2,5-9,12H,3-4,10H2,1H3,(H,20,21)(H,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277743
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-5-chloro-...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H22ClN5O3/c1-24(2)7-9-28-10-8-25-17-4-3-13(20)11-15(17)18(23-25)22-16-12-21-6-5-14(16)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277746
PNG
(3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H-indazol...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C19H22FN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277751
PNG
(3-{[1-(2,3-dihydroxypropyl)-5-fluoro-1H-indazol-3-...)
Show SMILES OCC(O)Cn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O4/c17-9-1-2-14-12(5-9)15(20-21(14)7-10(23)8-22)19-13-6-18-4-3-11(13)16(24)25/h1-6,10,22-23H,7-8H2,(H,19,20)(H,24,25)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277752
PNG
(3-({1-[4-(dimethylamino)but-2-yn-1-yl]-5-fluoro- 1...)
Show SMILES CN(C)CC#CCn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClN5O2/c1-24(2)9-3-4-10-25-17-6-5-13(20)11-15(17)18(23-25)22-16-12-21-8-7-14(16)19(26)27/h5-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277718
PNG
(3-[(5-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277770
PNG
(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158803
PNG
(CHEMBL3787438 | US10040779, Example 75 | US9617242...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277779
PNG
(N-cyano-3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C20H22FN7O/c1-27(2)9-3-4-10-28-18-6-5-14(21)11-16(18)19(26-28)25-17-12-23-8-7-15(17)20(29)24-13-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,29)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277780
PNG
(N-cyano-3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Fc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20FN7O/c21-14-3-4-18-16(11-14)19(26-28(18)10-9-27-7-1-2-8-27)25-17-12-23-6-5-15(17)20(29)24-13-22/h3-6,11-12H,1-2,7-10H2,(H,24,29)(H,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277715
PNG
(3-[(1,5-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2n(C)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-13-11(7-9)14(18-19(13)2)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9617242 (2017)

More data for this
Ligand-Target Pair
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