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Compile Data Set for Download or QSAR

Found 1278 hits of affinity data for UniProtKB/TrEMBL: Q9UGL1   
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 5B


(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
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277771
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H16FN3O3/c19-11-1-2-17-14(7-11)16(9-22(17)12-4-6-25-10-12)21-15-8-20-5-3-13(15)18(23)24/h1-3,5,7-9,12,21H,4,6,10H2,(H,23,24)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277772
PNG
(3-{[5-chloro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H15ClN4O3/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)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(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
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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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US Patent
n/an/a<0.100n/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 US10040779 (2018)

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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n/an/a<0.100n/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 US10040779 (2018)

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


(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)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277781
PNG
(3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H20ClN5O2/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)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277782
PNG
(N-cyano-3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Clc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H20ClN7O/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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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277704
PNG
(3-[(1-methyl-1H-indazol-3-yl)amino]pyridine-4-carb...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H12N4O2/c1-18-12-5-3-2-4-10(12)13(17-18)16-11-8-15-7-6-9(11)14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277706
PNG
(3-(1,2-benzoxazol-3-ylamino]pyridine-4-carboxylic ...)
Show SMILES OC(=O)c1ccncc1Nc1noc2ccccc12
Show InChI InChI=1S/C13H9N3O3/c17-13(18)8-5-6-14-7-10(8)15-12-9-3-1-2-4-11(9)19-16-12/h1-7H,(H,15,16)(H,17,18)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277707
PNG
(3-[(5-chloro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C14H11ClN4O2/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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n/an/a<0.100n/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 US10040779 (2018)

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


(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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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277709
PNG
(3-[(6-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2ccc(F)cc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-12-6-8(15)2-3-10(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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n/an/a<0.100n/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 US10040779 (2018)

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


(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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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277711
PNG
(3-[(6-methoxy-1-methyl-1H-indazol-3-yl)amino]pyrid...)
Show SMILES COc1ccc2c(Nc3cnccc3C(O)=O)nn(C)c2c1
Show InChI InChI=1S/C15H14N4O3/c1-19-13-7-9(22-2)3-4-11(13)14(18-19)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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n/an/a<0.100n/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 US10040779 (2018)

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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n/an/a<0.100n/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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277713
PNG
(3-{[1-(2-methoxyethyl)-1H-indazol-3-yl]amino}pyrid...)
Show SMILES COCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O3/c1-23-9-8-20-14-5-3-2-4-12(14)15(19-20)18-13-10-17-7-6-11(13)16(21)22/h2-7,10H,8-9H2,1H3,(H,18,19)(H,21,22)
PDB

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n/an/a<0.100n/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 US10040779 (2018)

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


(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)

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


(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 Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277716
PNG
(3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-11-4-2-3-9(15)12(11)13(18-19)17-10-7-16-6-5-8(10)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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277717
PNG
(3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)ami...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2/c1-22-12-3-2-8(15(16,17)18)6-10(12)13(21-22)20-11-7-19-5-4-9(11)14(23)24/h2-7H,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 US10040779 (2018)

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


(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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277719
PNG
(3-{[1-(cyclopropylmethyl)-5-fluoro-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O2/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 US10040779 (2018)

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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277721
PNG
(3-[(5-fluoro-1-pentyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O2/c1-2-3-4-9-23-16-6-5-12(19)10-14(16)17(22-23)21-15-11-20-8-7-13(15)18(24)25/h5-8,10-11H,2-4,9H2,1H3,(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 US10040779 (2018)

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


(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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277723
PNG
(3-[(7-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cccc(F)c12
Show InChI InChI=1S/C16H15FN4O2/c1-2-8-21-14-11(4-3-5-12(14)17)15(20-21)19-13-9-18-7-6-10(13)16(22)23/h3-7,9H,2,8H2,1H3,(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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277724
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-2-ylmethyl)-1H-ind...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CCCO2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O3/c19-11-3-4-16-14(8-11)17(22-23(16)10-12-2-1-7-26-12)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 US10040779 (2018)

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


(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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277726
PNG
(3-{[5-fluoro-1-(2,2,2-trifluoroethyl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C15H10F4N4O2/c16-8-1-2-12-10(5-8)13(22-23(12)7-15(17,18)19)21-11-6-20-4-3-9(11)14(24)25/h1-6H,7H2,(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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277727
PNG
(3-[(1-benzyl-5-fluoro-1H-indazol-3-yl)amino]pyridi...)
Show SMILES OC(=O)c1ccncc1Nc1nn(Cc2ccccc2)c2ccc(F)cc12
Show InChI InChI=1S/C20H15FN4O2/c21-14-6-7-18-16(10-14)19(23-17-11-22-9-8-15(17)20(26)27)24-25(18)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)(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 US10040779 (2018)

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


(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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277729
PNG
(3-{[5-fluoro-1-(butan-2-yl)-1H-indazol-3-yl]amino}...)
Show SMILES CCC(C)n1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O2/c1-3-10(2)22-15-5-4-11(18)8-13(15)16(21-22)20-14-9-19-7-6-12(14)17(23)24/h4-10H,3H2,1-2H3,(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 US10040779 (2018)

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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277731
PNG
(3-{[1-(cyclobutylmethyl)-5-fluoro-1H-indazol-3-yl]...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-12-4-5-16-14(8-12)17(22-23(16)10-11-2-1-3-11)21-15-9-20-7-6-13(15)18(24)25/h4-9,11H,1-3,10H2,(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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US9617242...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(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 US10040779 (2018)

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


(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 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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277734
PNG
(3-{[1-(cyclopropylethyl)-5-fluoro-1H-indazol-3-yl]...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-12-3-4-16-14(9-12)17(22-23(16)8-6-11-1-2-11)21-15-10-20-7-5-13(15)18(24)25/h3-5,7,9-11H,1-2,6,8H2,(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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277735
PNG
(3-{[5-fluoro-1-(3,3,3-trifluoropropyl)-1H-indazol-...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C16H12F4N4O2/c17-9-1-2-13-11(7-9)14(23-24(13)6-4-16(18,19)20)22-12-8-21-5-3-10(12)15(25)26/h1-3,5,7-8H,4,6H2,(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 US10040779 (2018)

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 US10040779 (2018)

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 US10040779 (2018)

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


(Homo sapiens (Human))
BDBM277738
PNG
(3-{[5-chloro-1-(3,3,3-trifluoropropyl)-1H-indazol-...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCC(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C16H12ClF3N4O2/c17-9-1-2-13-11(7-9)14(23-24(13)6-4-16(18,19)20)22-12-8-21-5-3-10(12)15(25)26/h1-3,5,7-8H,4,6H2,(H,22,23)(H,25,26)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a<0.100n/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 US10040779 (2018)

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)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<0.100n/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 US10040779 (2018)

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


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.100n/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 US10040779 (2018)

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


(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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<0.100n/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 US10040779 (2018)

More data for this
Ligand-Target Pair
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