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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 2B' AND taxid = 9606   
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 2B


(Homo sapiens (Human))
BDBM263932
PNG
(2-(3-cyclopropyl-5-hydroxy-1H- pyrazol-1-yl)isonic...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CC1
Show InChI InChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,16H,1-2H2,(H,17,18)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264083
PNG
(5-[(3-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2cccc(Cl)c2)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-12-3-1-2-10(6-12)7-13-9-15(25)24(21-13)14-8-11(4-5-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264082
PNG
(5-[(2-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2ccccc2Cl)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-13-4-2-1-3-10(13)7-12-9-15(25)24(21-12)14-8-11(5-6-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264081
PNG
(5-(1-phenylethyl)-2-[4-(1H- tetrazol-5-yl)pyridin-...)
Show SMILES CC(c1cc(O)n(n1)-c1cc(ccn1)-c1nn[nH]n1)c1ccccc1
Show InChI InChI=1S/C17H15N7O/c1-11(12-5-3-2-4-6-12)14-10-16(25)24(21-14)15-9-13(7-8-18-15)17-19-22-23-20-17/h2-11,25H,1H3,(H,19,20,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264080
PNG
(2-[3-[(4-chlorophenyl)methyl]-5- hydroxypyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C16H12ClN3O3/c17-12-3-1-10(2-4-12)7-13-9-15(21)20(19-13)14-8-11(16(22)23)5-6-18-14/h1-6,8-9,21H,7H2,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264079
PNG
(2-[3-[(3-chlorophenyl)methyl]-5- hydroxypyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2cccc(Cl)c2)cc1O
Show InChI InChI=1S/C16H12ClN3O3/c17-12-3-1-2-10(6-12)7-13-9-15(21)20(19-13)14-8-11(16(22)23)4-5-18-14/h1-6,8-9,21H,7H2,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158693
PNG
(CHEMBL3787133)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O2/c1-13-5-9(12-6-13)8-4-7(10(14)15)2-3-11-8/h2-6H,1H3,(H,14,15)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158694
PNG
(CHEMBL3786803)
Show SMILES COc1ccc(cc1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H15N3O3/c1-20-10-19-15(14-9-12(17(21)22)7-8-18-14)16(20)11-3-5-13(23-2)6-4-11/h3-10H,1-2H3,(H,21,22)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158695
PNG
(CHEMBL3787664)
Show SMILES Cn1cnc(c1-c1ccc(OCC2CC2)cc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c1-23-12-22-18(17-10-15(20(24)25)8-9-21-17)19(23)14-4-6-16(7-5-14)26-11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158696
PNG
(CHEMBL3786225)
Show SMILES Cn1cnc(c1)-c1cc(ccn1)-c1nnn[nH]1
Show InChI InChI=1S/C10H9N7/c1-17-5-9(12-6-17)8-4-7(2-3-11-8)10-13-15-16-14-10/h2-6H,1H3,(H,13,14,15,16)
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264085
PNG
(2-[3-[2-(4-chlorophenyl)propan- 2-yl]-5-hydroxypyr...)
Show SMILES CC(C)(c1cc(O)n(n1)-c1cc(ccn1)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O3/c1-18(2,12-3-5-13(19)6-4-12)14-10-16(23)22(21-14)15-9-11(17(24)25)7-8-20-15/h3-10,23H,1-2H3,(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264086
PNG
(2-[3-[1-(4- chlorophenyl)cyclopropyl]-5- hydroxypy...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O3/c19-13-3-1-12(2-4-13)18(6-7-18)14-10-16(23)22(21-14)15-9-11(17(24)25)5-8-20-15/h1-5,8-10,23H,6-7H2,(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264088
PNG
(2-[3-[(4-fluoro-2- methylphenyl)methyl]-5- hydroxy...)
Show SMILES Cc1cc(F)ccc1Cc1cc(O)n(n1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14FN3O3/c1-10-6-13(18)3-2-11(10)7-14-9-16(22)21(20-14)15-8-12(17(23)24)4-5-19-15/h2-6,8-9,22H,7H2,1H3,(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264089
PNG
(2-[3-[(2-fluoro-4- methylphenyl)methyl]-5- hydroxy...)
Show SMILES Cc1ccc(Cc2cc(O)n(n2)-c2cc(ccn2)C(O)=O)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-10-2-3-11(14(18)6-10)7-13-9-16(22)21(20-13)15-8-12(17(23)24)4-5-19-15/h2-6,8-9,22H,7H2,1H3,(H,23,24)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264090
PNG
(2-[3-[(2,4-difluorophenyl)methyl]- 5-hydroxypyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccc(F)cc2F)cc1O
Show InChI InChI=1S/C16H11F2N3O3/c17-11-2-1-9(13(18)7-11)5-12-8-15(22)21(20-12)14-6-10(16(23)24)3-4-19-14/h1-4,6-8,22H,5H2,(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264084
PNG
(5-[(4-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl...)
Show SMILES Oc1cc(Cc2ccc(Cl)cc2)nn1-c1cc(ccn1)-c1nn[nH]n1
Show InChI InChI=1S/C16H12ClN7O/c17-12-3-1-10(2-4-12)7-13-9-15(25)24(21-13)14-8-11(5-6-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263935
PNG
(2-(3-(2-fluorophenyl)-5-hydroxy- 1H-pyrazol-1-yl)i...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)-c1ccccc1F
Show InChI InChI=1S/C15H10FN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,20H,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263937
PNG
(2-(3-(2-chlorophenyl)-5-hydroxy- 1H-pyrazol-1-yl)i...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C15H10ClN3O3/c16-11-4-2-1-3-10(11)12-8-14(20)19(18-12)13-7-9(15(21)22)5-6-17-13/h1-8,20H,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263938
PNG
(2-(3-benzyl-5-hydroxy-1H- pyrazol-1-yl)isonicotini...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccccc2)cc1O
Show InChI InChI=1S/C16H13N3O3/c20-15-10-13(8-11-4-2-1-3-5-11)18-19(15)14-9-12(16(21)22)6-7-17-14/h1-7,9-10,20H,8H2,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263939
PNG
(2-(5-hydroxy-3-(methoxymethyl)- 1H-pyrazol-1-yl)is...)
Show SMILES COCc1cc(O)n(n1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c1-18-6-8-5-10(15)14(13-8)9-4-7(11(16)17)2-3-12-9/h2-5,15H,6H2,1H3,(H,16,17)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263940
PNG
(2-(5-hydroxy-3-(phenoxymethyl)- 1H-pyrazol-1-yl)is...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(COc2ccccc2)cc1O
Show InChI InChI=1S/C16H13N3O4/c20-15-9-12(10-23-13-4-2-1-3-5-13)18-19(15)14-8-11(16(21)22)6-7-17-14/h1-9,20H,10H2,(H,21,22)
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Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264073
PNG
(2-[3-(4-chlorophenyl)-5- hydroxypyrazol-1-yl]pyrid...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O3/c16-11-3-1-9(2-4-11)12-8-14(20)19(18-12)13-7-10(15(21)22)5-6-17-13/h1-8,20H,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264074
PNG
(2-[3-(3-chlorophenyl)-5- hydroxypyrazol-1-yl]pyrid...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClN3O3/c16-11-3-1-2-9(6-11)12-8-14(20)19(18-12)13-7-10(15(21)22)4-5-17-13/h1-8,20H,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264075
PNG
(2-(3-cyclopentyl-5- hydroxypyrazol-1-yl)pyridine-4...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(cc1O)C1CCCC1
Show InChI InChI=1S/C14H15N3O3/c18-13-8-11(9-3-1-2-4-9)16-17(13)12-7-10(14(19)20)5-6-15-12/h5-9,18H,1-4H2,(H,19,20)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264076
PNG
(2-[3-[(2,6-difluorophenyl)methyl]- 5-hydroxypyrazo...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2c(F)cccc2F)cc1O
Show InChI InChI=1S/C16H11F2N3O3/c17-12-2-1-3-13(18)11(12)7-10-8-15(22)21(20-10)14-6-9(16(23)24)4-5-19-14/h1-6,8,22H,7H2,(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264077
PNG
(2-[5-hydroxy-3-(1-phenyl- ethyl)pyrazol-1-yl]pyrid...)
Show SMILES CC(c1cc(O)n(n1)-c1cc(ccn1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C17H15N3O3/c1-11(12-5-3-2-4-6-12)14-10-16(21)20(19-14)15-9-13(17(22)23)7-8-18-15/h2-11,21H,1H3,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264078
PNG
(2-[3-[(2-chlorophenyl)methyl]-5- hydroxypyrazol-1-...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H12ClN3O3/c17-13-4-2-1-3-10(13)7-12-9-15(21)20(19-12)14-8-11(16(22)23)5-6-18-14/h1-6,8-9,21H,7H2,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158860
PNG
(CHEMBL3785378)
Show SMILES CCN1CCC[C@H](CNCc2cc(ccn2)C(O)=O)C1=O
Show InChI InChI=1S/C15H21N3O3/c1-2-18-7-3-4-12(14(18)19)9-16-10-13-8-11(15(20)21)5-6-17-13/h5-6,8,12,16H,2-4,7,9-10H2,1H3,(H,20,21)/t12-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155509
PNG
(CHEMBL3780689)
Show SMILES C[C@@H](N1CCC[C@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C21H25N3O3/c1-15(16-6-3-2-4-7-16)24-11-5-8-18(20(24)25)13-22-14-19-12-17(21(26)27)9-10-23-19/h2-4,6-7,9-10,12,15,18,22H,5,8,11,13-14H2,1H3,(H,26,27)/t15-,18-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155508
PNG
(CHEMBL3780833)
Show SMILES C[C@@H](N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C21H25N3O3/c1-15(16-6-3-2-4-7-16)24-11-5-8-18(20(24)25)13-22-14-19-12-17(21(26)27)9-10-23-19/h2-4,6-7,9-10,12,15,18,22H,5,8,11,13-14H2,1H3,(H,26,27)/t15-,18+/m1/s1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155507
PNG
(CHEMBL3780904)
Show SMILES C[C@@H](N1CC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O3/c1-14(15-5-3-2-4-6-15)23-10-8-17(19(23)24)12-21-13-18-11-16(20(25)26)7-9-22-18/h2-7,9,11,14,17,21H,8,10,12-13H2,1H3,(H,25,26)/t14-,17+/m1/s1
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n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155505
PNG
(CHEMBL3781414)
Show SMILES CCN1CCC(CNCc2cc(ccn2)C(O)=O)C1=O
Show InChI InChI=1S/C14H19N3O3/c1-2-17-6-4-11(13(17)18)8-15-9-12-7-10(14(19)20)3-5-16-12/h3,5,7,11,15H,2,4,6,8-9H2,1H3,(H,19,20)
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n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O
Show InChI InChI=1S/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/m1/s1
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n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264087
PNG
(2-[3-[(3,5- dichlorophenyl)methyl]-5- hydroxypyraz...)
Show SMILES OC(=O)c1ccnc(c1)-n1nc(Cc2cc(Cl)cc(Cl)c2)cc1O
Show InChI InChI=1S/C16H11Cl2N3O3/c17-11-3-9(4-12(18)7-11)5-13-8-15(22)21(20-13)14-6-10(16(23)24)1-2-19-14/h1-4,6-8,22H,5H2,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263924
PNG
(2-(5-hydroxy-3-methyl-1H- pyrazol-1-yl)isonicotini...)
Show SMILES Cc1cc(O)n(n1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C10H9N3O3/c1-6-4-9(14)13(12-6)8-5-7(10(15)16)2-3-11-8/h2-5,14H,1H3,(H,15,16)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263933
PNG
(2-(5-hydroxy-3,4- dimethyl-1H-pyrazol-1- yl)isonic...)
Show SMILES Cc1nn(c(O)c1C)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O3/c1-6-7(2)13-14(10(6)15)9-5-8(11(16)17)3-4-12-9/h3-5,15H,1-2H3,(H,16,17)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263934
PNG
(2-(5-hydroxy-3-methyl-4- phenyl-1H-pyrazol-1- yl)i...)
Show SMILES Cc1nn(c(O)c1-c1ccccc1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C16H13N3O3/c1-10-14(11-5-3-2-4-6-11)15(20)19(18-10)13-9-12(16(21)22)7-8-17-13/h2-9,20H,1H3,(H,21,22)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263936
PNG
(2-(5-hydroxy-3-propyl-1H- pyrazol-1-yl)isonicotini...)
Show SMILES CCCc1cc(O)n(n1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C12H13N3O3/c1-2-3-9-7-11(16)15(14-9)10-6-8(12(17)18)4-5-13-10/h4-7,16H,2-3H2,1H3,(H,17,18)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263941
PNG
(2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid | ...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1O
Show InChI InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263984
PNG
(2-[5-(1H-indazol-6-ylmethoxy)- 1H-pyrazol-1-yl]pyr...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C17H13N5O3/c23-17(24)12-3-5-18-15(8-12)22-16(4-6-20-22)25-10-11-1-2-13-9-19-21-14(13)7-11/h1-9H,10H2,(H,19,21)(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263985
PNG
(2-{5-[(1-methyl-1H-indazol-6- yl)methoxy]-1H-pyraz...)
Show SMILES Cn1ncc2ccc(COc3ccnn3-c3cc(ccn3)C(O)=O)cc12
Show InChI InChI=1S/C18H15N5O3/c1-22-15-8-12(2-3-14(15)10-21-22)11-26-17-5-7-20-23(17)16-9-13(18(24)25)4-6-19-16/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM191600
PNG
(2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl...)
Show SMILES Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM264021
PNG
(2-[5-[(4-chloro-2- phenylmethoxyphenyl)methoxy] py...)
Show SMILES OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClN3O4/c24-19-7-6-18(20(13-19)30-14-16-4-2-1-3-5-16)15-31-22-9-11-26-27(22)21-12-17(23(28)29)8-10-25-21/h1-13H,14-15H2,(H,28,29)
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n/an/a 550n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158859
PNG
(CHEMBL3787193)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)OC
Show InChI InChI=1S/C16H26N4O3/c1-5-20(9-8-19(2)3)15(21)12-17-11-14-10-13(6-7-18-14)16(22)23-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158858
PNG
(CHEMBL3786409)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50158857
PNG
(CHEMBL3787547)
Show SMILES CCN(CC)CCCCNCc1cc(C=O)ccn1
Show InChI InChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155450
PNG
(CHEMBL3779953)
Show SMILES Cc1cn2CCN(Cc3cc(ccn3)C(O)=O)CCc2n1
Show InChI InChI=1S/C15H18N4O2/c1-11-9-19-7-6-18(5-3-14(19)17-11)10-13-8-12(15(20)21)2-4-16-13/h2,4,8-9H,3,5-7,10H2,1H3,(H,20,21)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00437
BindingDB Entry DOI: 10.7270/Q2CJ8GC9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM263991
PNG
(2-{5-[(4-ethylbenzyl)oxy]- 1H-pyrazol-1-yl}pyridin...)
Show SMILES CCc1ccc(COc2ccnn2-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23)
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US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US9714230 (2017)

More data for this
Ligand-Target Pair
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