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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'wild' and Initial = 'h'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095409
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1H...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H19Cl2N3O3/c1-17(2,3)12-8-11(14(22-12)15(23)25-4)21-16(24)20-10-7-5-6-9(18)13(10)19/h5-8,22H,1-4H3,(H2,20,21,24)
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 9n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against raf kinase.


Bioorg Med Chem Lett 11: 2775-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0VD5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095390
PNG
(5-tert-Butyl-3-(3-naphthalen-1-yl-ureido)-1H-pyrro...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C21H23N3O3/c1-21(2,3)17-12-16(18(24-17)19(25)27-4)23-20(26)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,24H,1-4H3,(H2,22,23,26)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095392
PNG
(5-tert-Butyl-3-[3-(3-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-6-10(18)8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 27n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095415
PNG
(5-tert-Butyl-3-(3-naphthalen-1-yl-ureido)-1H-pyrro...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C21H24N4O2/c1-21(2,3)17-12-16(18(25-17)19(26)22-4)24-20(27)23-15-11-7-9-13-8-5-6-10-14(13)15/h5-12,25H,1-4H3,(H,22,26)(H2,23,24,27)
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n/an/a 28n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095402
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...)
Show SMILES CNC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)20-17(23)21-13-10-14(18(2,3)4)24-15(13)16(22)19-5/h6-10H,1-5H3,(H,19,22)(H2,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095429
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-fu...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H18Cl2N2O4/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095428
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)
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n/an/a 33n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095403
PNG
(1-(5-tert-butyl-2-(methylcarbamoyl)thiophen-3-yl)-...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O2S/c1-11-6-8-12(9-7-11)20-17(23)21-13-10-14(18(2,3)4)24-15(13)16(22)19-5/h6-10H,1-5H3,(H,19,22)(H2,20,21,23)
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n/an/a 34n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095398
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20FN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-10(18)6-8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 42n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095407
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-7-5-10(18)6-8-11/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 43n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095397
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1H...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H20Cl2N4O2/c1-17(2,3)12-8-11(14(23-12)15(24)20-4)22-16(25)21-10-7-5-6-9(18)13(10)19/h5-8,23H,1-4H3,(H,20,24)(H2,21,22,25)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095426
PNG
(5-tert-Butyl-3-(3-phenyl-ureido)-1H-pyrrole-2-carb...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)13-10-12(14(20-13)15(21)23-4)19-16(22)18-11-8-6-5-7-9-11/h5-10,20H,1-4H3,(H2,18,19,22)
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n/an/a 44n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118338
PNG
(US8653111, 62)
Show SMILES CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095401
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCCO)C(C)(C)C)cc1
Show InChI InChI=1S/C20H26N2O4S/c1-13-6-8-14(9-7-13)21-19(25)22-15-12-16(20(2,3)4)27-17(15)18(24)26-11-5-10-23/h6-9,12,23H,5,10-11H2,1-4H3,(H2,21,22,25)
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n/an/a 56n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095412
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES Cc1ccc(NC(=O)Nc2cc(sc2C(=O)OCCO)C(C)(C)C)cc1
Show InChI InChI=1S/C19H24N2O4S/c1-12-5-7-13(8-6-12)20-18(24)21-14-11-15(19(2,3)4)26-16(14)17(23)25-10-9-22/h5-8,11,22H,9-10H2,1-4H3,(H2,20,21,24)
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n/an/a 57n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095424
PNG
(5-tert-Butyl-3-[3-(2-chloro-phenyl)-ureido]-1H-pyr...)
Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C17H20ClN3O3/c1-17(2,3)13-9-12(14(21-13)15(22)24-4)20-16(23)19-11-8-6-5-7-10(11)18/h5-9,21H,1-4H3,(H2,19,20,23)
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n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095408
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...)
Show SMILES CNC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H24N4O2/c1-11-6-8-12(9-7-11)20-17(24)21-13-10-14(18(2,3)4)22-15(13)16(23)19-5/h6-10,22H,1-5H3,(H,19,23)(H2,20,21,24)
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n/an/a 67n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095396
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O4/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 73n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095391
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-thioph...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20FN3O2S/c1-17(2,3)13-9-12(14(24-13)15(22)19-4)21-16(23)20-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H,19,22)(H2,20,21,23)
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n/an/a 88n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095422
PNG
(5-tert-Butyl-3-[3-(4-ethyl-phenyl)-ureido]-thiophe...)
Show SMILES CCc1ccc(NC(=O)Nc2cc(sc2C(=O)NC)C(C)(C)C)cc1
Show InChI InChI=1S/C19H25N3O2S/c1-6-12-7-9-13(10-8-12)21-18(24)22-14-11-15(19(2,3)4)25-16(14)17(23)20-5/h7-11H,6H2,1-5H3,(H,20,23)(H2,21,22,24)
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n/an/a 119n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095406
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-th...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)12-8-11(14(25-12)15(22)24-4)21-16(23)20-10-7-5-6-9(18)13(10)19/h5-8H,1-4H3,(H2,20,21,23)
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n/an/a 180n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM3527
PNG
(US8524699, 18)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-c1cccnc1
Show InChI InChI=1S/C16H16N6O2/c23-16-13(12-2-1-3-17-9-12)10-20-22(16)15-8-14(18-11-19-15)21-4-6-24-7-5-21/h1-3,8-11,20H,4-7H2
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US Patent
n/an/a 180n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.


US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM171824
PNG
(US9085572, 34)
Show SMILES Cc1ccnc(c1)-n1[nH]cc(-c2ccc(nc2)C#N)c1=O
Show InChI InChI=1S/C15H11N5O/c1-10-4-5-17-14(6-10)20-15(21)13(9-19-20)11-2-3-12(7-16)18-8-11/h2-6,8-9,19H,1H3
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n/an/a 180n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118341
PNG
(US8653111, 85)
Show SMILES CC(C)(C)COc1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C15H18N6O2/c1-15(2,3)10-23-11-4-5-13(16-8-11)21-14(22)12(9-18-21)20-7-6-17-19-20/h4-9,18H,10H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095418
PNG
(5-tert-Butyl-3-[3-(4-fluoro-phenyl)-ureido]-furan-...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19FN2O4/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
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n/an/a 210n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095420
PNG
(5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thioph...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C17H19ClN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
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n/an/a 220n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095399
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 248n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha2 kinase


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095400
PNG
(5-tert-Butyl-1-methyl-3-(3-naphthalen-1-yl-ureido)...)
Show SMILES COC(=O)c1c(NC(=O)Nc2cccc3ccccc23)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)18-13-17(19(25(18)4)20(26)28-5)24-21(27)23-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,1-5H3,(H2,23,24,27)
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n/an/a 253n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM109268
PNG
(US8609698, 10)
Show SMILES OC(=O)c1ccc(nc1)-n1[nH]cc(-c2cncc(Br)c2)c1=O
Show InChI InChI=1S/C14H9BrN4O3/c15-10-3-9(4-16-6-10)11-7-18-19(13(11)20)12-2-1-8(5-17-12)14(21)22/h1-7,18H,(H,21,22)
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US Patent
n/an/a 260n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Inhibition of the Activity of HIF Prolyl Hydroxylase is carried out as described [Oehme F., Jonghaus W., Narouz-Ott L., Huetter J., Flamme I., Anal. ...


US Patent US8609698 (2013)


BindingDB Entry DOI: 10.7270/Q2G44NZ8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095421
PNG
(5-tert-Butyl-3-[3-(4-isopropyl-phenyl)-ureido]-thi...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(cc1)C(C)C)C(C)(C)C
Show InChI InChI=1S/C20H27N3O2S/c1-12(2)13-7-9-14(10-8-13)22-19(25)23-15-11-16(20(3,4)5)26-17(15)18(24)21-6/h7-12H,1-6H3,(H,21,24)(H2,22,23,25)
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n/an/a 270n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095423
PNG
(5-tert-Butyl-3-(3-phenyl-ureido)-thiophene-2-carbo...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-12(14(23-13)15(20)22-4)19-16(21)18-11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,18,19,21)
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n/an/a 290n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50095423
PNG
(5-tert-Butyl-3-(3-phenyl-ureido)-thiophene-2-carbo...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-12(14(23-13)15(20)22-4)19-16(21)18-11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,18,19,21)
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n/an/a 290n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 2775-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0VD5
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118328
PNG
(US8653111, 7)
Show SMILES Cc1ccnc(c1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C11H10N6O/c1-8-2-3-12-10(6-8)17-11(18)9(7-14-17)16-5-4-13-15-16/h2-7,14H,1H3
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n/an/a 340n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118344
PNG
(US8653111, 103)
Show SMILES CCSc1cc(ncn1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C11H11N7OS/c1-2-20-10-5-9(12-7-13-10)18-11(19)8(6-15-18)17-4-3-14-16-17/h3-7,15H,2H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118346
PNG
(US8653111, 129)
Show SMILES CC1CCN(CC1)c1cc(ncn1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C15H18N8O/c1-11-2-5-21(6-3-11)13-8-14(17-10-16-13)23-15(24)12(9-19-23)22-7-4-18-20-22/h4,7-11,19H,2-3,5-6H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50105619
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-phenoxy-phenyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1
Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)17-13-18(23-26-17)22-19(24)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24)
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n/an/a 360n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli derived Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 2775-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0VD5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095427
PNG
(5-tert-Butyl-3-[3-(2,3-dichloro-phenyl)-ureido]-1-...)
Show SMILES COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2Cl)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C18H21Cl2N3O3/c1-18(2,3)13-9-12(15(23(13)4)16(24)26-5)22-17(25)21-11-8-6-7-10(19)14(11)20/h6-9H,1-5H3,(H2,21,22,25)
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n/an/a 387n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095430
PNG
(5-tert-Butyl-1-methyl-3-(3-p-tolyl-ureido)-1H-pyrr...)
Show SMILES COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(n1C)C(C)(C)C
Show InChI InChI=1S/C19H25N3O3/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6/h7-11H,1-6H3,(H2,20,21,24)
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n/an/a 400n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from E. coli


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095399
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 413n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM171821
PNG
(US9085572, 6)
Show SMILES O=c1c(c[nH]n1-c1ccccn1)-c1cccnc1
Show InChI InChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H
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n/an/a 430n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US9085572 (2015)


BindingDB Entry DOI: 10.7270/Q2H70DMQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095405
PNG
(5-Amino-3-(3-p-tolyl-ureido)-thiophene-2-carboxyli...)
Show SMILES COC(=O)c1sc(N)cc1NC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-8-3-5-9(6-4-8)16-14(19)17-10-7-11(15)21-12(10)13(18)20-2/h3-7H,15H2,1-2H3,(H2,16,17,19)
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n/an/a 441n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095419
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O4S/c1-13-6-8-14(9-7-13)21-19(24)22-15-12-16(20(2,3)4)27-17(15)18(23)26-11-10-25-5/h6-9,12H,10-11H2,1-5H3,(H2,21,22,24)
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n/an/a 464n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM3543
PNG
(US8524699, 16)
Show SMILES Clc1ccc(cn1)-c1c[nH]n(-c2cc(ncn2)N2CCOCC2)c1=O
Show InChI InChI=1S/C16H15ClN6O2/c17-13-2-1-11(8-18-13)12-9-21-23(16(12)24)15-7-14(19-10-20-15)22-3-5-25-6-4-22/h1-2,7-10,21H,3-6H2
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n/an/a 480n/an/an/an/a7.525



Bayer Intellectual Property GmbH

US Patent


Assay Description
In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.


US Patent US8524699 (2013)


BindingDB Entry DOI: 10.7270/Q2TB15J4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50095404
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES CCCOC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C20H26N2O3S/c1-6-11-25-18(23)17-15(12-16(26-17)20(3,4)5)22-19(24)21-14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H2,21,22,24)
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha 2


Bioorg Med Chem Lett 11: 9-12 (2001)


BindingDB Entry DOI: 10.7270/Q2JM28WH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 490n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118329
PNG
(US8653111, 10)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCCCC1)-n1ccnc1
Show InChI InChI=1S/C15H17N7O/c23-15-12(21-7-4-16-11-21)9-19-22(15)14-8-13(17-10-18-14)20-5-2-1-3-6-20/h4,7-11,19H,1-3,5-6H2
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n/an/a 500n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50105619
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-phenoxy-phenyl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1
Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)17-13-18(23-26-17)22-19(24)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24)
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against raf kinase.


Bioorg Med Chem Lett 11: 2775-8 (2001)


BindingDB Entry DOI: 10.7270/Q2NS0VD5
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM118331
PNG
(US8653111, 17)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)C1CC1)-n1ccnn1
Show InChI InChI=1S/C12H11N7O/c20-12-10(18-4-3-15-17-18)6-16-19(12)11-5-9(8-1-2-8)13-7-14-11/h3-8,16H,1-2H2
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n/an/a 560n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
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