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Compile Data Set for Download or QSAR

Found 1270 hits with Last Name = 'zhao' and Initial = 'k'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086645
PNG
([4-(4-hydroxybenzyl)phenoxy]methylphosphonate)
Show SMILES Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1
Show InChI InChI=1S/C14H15O5P/c15-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)/p-2
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4.70E+4n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Escherichia coli (strain K12))
BDBM50338502
PNG
(5-O-phosphate-1-N-(4'-(4''-methoxyhenyl))-[1',2',3...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H18N3O8P/c1-23-9-4-2-8(3-5-9)10-6-17(16-15-10)14-13(19)12(18)11(25-14)7-24-26(20,21)22/h2-6,11-14,18-19H,7H2,1H3,(H2,20,21,22)/t11-,12-,13-,14-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 recombinant NAD-dependent malic enzyme by Dixon plot


Bioorg Med Chem Lett 21: 1667-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.107
BindingDB Entry DOI: 10.7270/Q2JD4X3R
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086647
PNG
(hydrogen (1-phenanthryloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C15H13O4P/c16-20(17,18)10-19-15-7-3-6-13-12-5-2-1-4-11(12)8-9-14(13)15/h1-9H,10H2,(H2,16,17,18)/p-1
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4.10E+5n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086647
PNG
(hydrogen (1-phenanthryloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C15H13O4P/c16-20(17,18)10-19-15-7-3-6-13-12-5-2-1-4-11(12)8-9-14(13)15/h1-9H,10H2,(H2,16,17,18)/p-1
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5.70E+5n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086644
PNG
([4-(carboxymethyl)phenoxy]methylphosphonate)
Show SMILES OC(=O)Cc1ccc(OCP([O-])([O-])=O)cc1
Show InChI InChI=1S/C9H11O6P/c10-9(11)5-7-1-3-8(4-2-7)15-6-16(12,13)14/h1-4H,5-6H2,(H,10,11)(H2,12,13,14)/p-2
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1.10E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086646
PNG
(hydrogen (2-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,12,13,14)/p-1
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1.30E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086645
PNG
([4-(4-hydroxybenzyl)phenoxy]methylphosphonate)
Show SMILES Oc1ccc(Cc2ccc(OCP([O-])([O-])=O)cc2)cc1
Show InChI InChI=1S/C14H15O5P/c15-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)/p-2
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1.30E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086649
PNG
(hydrogen (1-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,12,13,14)/p-1
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1.30E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086644
PNG
([4-(carboxymethyl)phenoxy]methylphosphonate)
Show SMILES OC(=O)Cc1ccc(OCP([O-])([O-])=O)cc1
Show InChI InChI=1S/C9H11O6P/c10-9(11)5-7-1-3-8(4-2-7)15-6-16(12,13)14/h1-4H,5-6H2,(H,10,11)(H2,12,13,14)/p-2
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2.60E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50086648
PNG
(phenoxymethylphosphonate)
Show SMILES [O-]P([O-])(=O)COc1ccccc1
Show InChI InChI=1S/C7H9O4P/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-2
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3.30E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086649
PNG
(hydrogen (1-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1cccc2ccccc12
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,12,13,14)/p-1
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4.80E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086646
PNG
(hydrogen (2-naphthyloxy)methylphosphonate)
Show SMILES OP([O-])(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H11O4P/c12-16(13,14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,12,13,14)/p-1
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5.70E+6n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50086648
PNG
(phenoxymethylphosphonate)
Show SMILES [O-]P([O-])(=O)COc1ccccc1
Show InChI InChI=1S/C7H9O4P/c8-12(9,10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)/p-2
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2.60E+7n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR


Bioorg Med Chem Lett 10: 457-60 (2000)


BindingDB Entry DOI: 10.7270/Q2J966W3
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291686
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291695
PNG
(3-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES [O-][N]1=CC(=CC=C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:3,5,t:1|
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Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291815
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291908
PNG
(8-(6-((dimethylamino)methyl)-2-methylpyridin-3-yl)...)
Show SMILES CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291925
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12
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Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
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n/an/a 1.5n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
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n/an/a 1.60n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
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n/an/a 1.70n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291823
PNG
(8-(4-chloro-6-methoxypyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
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n/an/a 1.90n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
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n/an/a 1.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
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Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
EZH2/SUZ12/EED/RBBP7/RBBP4


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US9090562, 143 | US90905...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291853
PNG
(8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
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Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291918
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.20n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291882
PNG
(8-(6-(difluoromethoxy)-4-methylpyridin-3-yl)-N-((5...)
Show SMILES Cc1cc(OC(F)F)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.20n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291873
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1ncc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.30n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291880
PNG
(8-(1,3-dimethyl-1H-pyrazol-4-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291827
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.40n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291879
PNG
(8-(2,5-dimethylpyridin-4-yl)-N-((5-fluoro-2,3-dihy...)
Show SMILES Cc1cc(c(C)cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.40n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291830
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.40n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291867
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291875
PNG
(2-(4-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)met...)
Show SMILES Cc1nn(CCO)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.5n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291866
PNG
(8-(2-(difluoromethyl)-3-methylpyridin-4-yl)-N-((5-...)
Show SMILES Cc1c(ccnc1C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.60n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291687
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291812
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
PDB

UniProtKB/SwissProt

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n/an/a 2.60n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291914
PNG
(8-(6-ethyl-2-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291690
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 2.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291693
PNG
(8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...)
Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1
PDB

UniProtKB/SwissProt

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n/an/a 2.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291854
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cn1nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 2.90n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291885
PNG
(8-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-N-...)
Show SMILES Cn1cc(c(n1)C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291922
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2cccn2)c2nncn12
PDB

UniProtKB/SwissProt

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n/an/a 3.10n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291867
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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n/an/a 3.10n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.20n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291816
PNG
(5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES CN(C)C(=O)c1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291852
PNG
(8-(2,6-dimethylpyridin-3-yl)-N-((5-fluoro-2,3-dihy...)
Show SMILES Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 3.30n/an/an/an/a8.0n/a



Novartis AG

US Patent




US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
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