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PubChem AID 1641

Compile Data Set for Download or QSAR

Found 211 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41042
PNG
(7-(4-fluorophenyl)-5-(4-methylphenyl)-4-pyrido[2,3...)
Show SMILES Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(21)9-7-14)25-20-18(16)19(22)23-11-24-20/h2-11H,1H3,(H2,22,23,24,25)
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n/an/a 288n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40956
PNG
(1-[2-[4-(4-chlorobenzyl)oxyphenyl]-4-cyano-oxazol-...)
Show SMILES NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
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n/an/a>858n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41028
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(12(16)17)14-11(15)10(20-13(14)19)6-2-4-9-5-3-7-18-9/h2-8H,1H3,(H,16,17)/b4-2+,10-6-
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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n/an/a 1.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41088
PNG
(MLS000581961 | N-({[2-methoxy-5-(2-oxo-2H-chromen-...)
Show SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C26H20N2O6S/c1-31-21-8-6-15(18-12-16-4-2-3-5-20(16)34-25(18)30)13-19(21)27-26(35)28-24(29)17-7-9-22-23(14-17)33-11-10-32-22/h2-9,12-14H,10-11H2,1H3,(H2,27,28,29,35)
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n/an/a 1.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41013
PNG
(4-methoxy-N-(7-methyl-2-thiazolo[4,5-g][1,3]benzot...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc3nc(C)sc3c2s1
Show InChI InChI=1S/C17H13N3O2S2/c1-9-18-12-7-8-13-15(14(12)23-9)24-17(19-13)20-16(21)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 1.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41003
PNG
(2-(5-bromanylfuran-2-yl)-6-methyl-3,1-benzoxazin-4...)
Show SMILES Cc1ccc2nc(oc(=O)c2c1)-c1ccc(Br)o1
Show InChI InChI=1S/C13H8BrNO3/c1-7-2-3-9-8(6-7)13(16)18-12(15-9)10-4-5-11(14)17-10/h2-6H,1H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
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n/an/a 1.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
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n/an/a 1.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41040
PNG
(3-(1H-benzimidazol-2-yl)-6-methoxy-N-(3-methoxyphe...)
Show SMILES COc1cccc(c1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H19N3O3/c1-28-17-7-5-6-16(14-17)25-24-19(23-26-20-8-3-4-9-21(20)27-23)13-15-12-18(29-2)10-11-22(15)30-24/h3-14H,1-2H3,(H,26,27)/b25-24-
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n/an/a 1.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM33089
PNG
((3-methyl-4-pyrrolidino-phenyl)amine;hydrochloride...)
Show SMILES Cc1cc(N)ccc1N1CCCC1
Show InChI InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40979
PNG
(2-(5-bromanylfuran-2-yl)-6,7-dimethoxy-3,1-benzoxa...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccc(Br)o1
Show InChI InChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41057
PNG
(MLS000544577 | N'-{2-(1-azepanyl)-5-nitrobenzy...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1
Show InChI InChI=1S/C28H27N5O4/c34-27(19-32-25-11-5-3-9-22(25)28(35)23-10-4-6-12-26(23)32)30-29-18-20-17-21(33(36)37)13-14-24(20)31-15-7-1-2-8-16-31/h3-6,9-14,17-18H,1-2,7-8,15-16,19H2,(H,30,34)
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n/an/a 1.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40727
PNG
(MLS000537135 | N'-(4-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Show InChI InChI=1S/C21H14FN3O2/c22-15-9-7-14(8-10-15)13-23-25-21(26)17-12-19(20-6-3-11-27-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)
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n/an/a 2.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM38173
PNG
(3-(2-indolo[3,2-b]quinoxalin-6-ylethyl)-1,3-benzox...)
Show SMILES O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C23H16N4O2/c28-23-27(19-11-5-6-12-20(19)29-23)14-13-26-18-10-4-1-7-15(18)21-22(26)25-17-9-3-2-8-16(17)24-21/h1-12H,13-14H2
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n/an/a 2.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41081
PNG
(4-chloranyl-3-(phenylsulfamoyl)-N-[2-(prop-2-enylc...)
Show SMILES Clc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC=C
Show InChI InChI=1S/C23H20ClN3O4S/c1-2-14-25-23(29)18-10-6-7-11-20(18)26-22(28)16-12-13-19(24)21(15-16)32(30,31)27-17-8-4-3-5-9-17/h2-13,15,27H,1,14H2,(H,25,29)(H,26,28)
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n/an/a 2.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41080
PNG
(1,3-bis(dimethylamino)-9,10-anthraquinone | 1,3-bi...)
Show SMILES CN(C)c1cc(N(C)C)c2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H18N2O2/c1-19(2)11-9-14-16(15(10-11)20(3)4)18(22)13-8-6-5-7-12(13)17(14)21/h5-10H,1-4H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM39597
PNG
((2-benzoxyphenyl)phosphonic acid | (2-phenylmethox...)
Show SMILES OP(O)(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C13H13O4P/c14-18(15,16)13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,14,15,16)
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n/an/a 2.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40973
PNG
(2-{[5-(2-phosphonophenoxy)pentyl]oxy}phenylphospho...)
Show SMILES OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O
Show InChI InChI=1S/C17H22O8P2/c18-26(19,20)16-10-4-2-8-14(16)24-12-6-1-7-13-25-15-9-3-5-11-17(15)27(21,22)23/h2-5,8-11H,1,6-7,12-13H2,(H2,18,19,20)(H2,21,22,23)
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n/an/a 2.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 2.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40998
PNG
(MLS000108784 | SMR000104735 | cid_1356461)
Show SMILES Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H19N3O3/c1-14-22(25(31)28(26(14)2)17-6-4-3-5-7-17)27-23(29)18-12-10-15-8-9-16-11-13-19(24(27)30)21(18)20(15)16/h3-7,10-13H,8-9H2,1-2H3
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n/an/a 2.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM37601
PNG
(3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
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n/an/a 2.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41014
PNG
((2E)-2-cyano-2-(3,4-dihydro-1H-quinolin-2-ylidene)...)
Show SMILES NC(=O)C(C#N)C1=Nc2ccccc2CC1
Show InChI InChI=1S/C12H11N3O/c13-7-9(12(14)16)11-6-5-8-3-1-2-4-10(8)15-11/h1-4,9H,5-6H2,(H2,14,16)
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n/an/a 2.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41087
PNG
(MLS000555365 | N-[4-[[2-(4-acetamidoanilino)-5-nit...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N7O4/c1-12(28)22-14-3-7-16(8-4-14)24-19-18(27(30)31)11-21-20(26-19)25-17-9-5-15(6-10-17)23-13(2)29/h3-11H,1-2H3,(H,22,28)(H,23,29)(H2,21,24,25,26)
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n/an/a 2.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40717
PNG
(2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]...)
Show SMILES Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
Show InChI InChI=1S/C24H25N7O2S3/c1-30-22(15-4-6-16(25)7-5-15)28-29-23(30)34-13-20(32)26-17-8-9-18-19(12-17)36-24(27-18)35-14-21(33)31-10-2-3-11-31/h4-9,12H,2-3,10-11,13-14,25H2,1H3,(H,26,32)
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41068
PNG
((6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic ...)
Show SMILES COc1ccc2nc(C)cc(SCC(=O)NN=Cc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C24H21N3O2S/c1-16-12-23(21-13-19(29-2)10-11-22(21)26-16)30-15-24(28)27-25-14-18-8-5-7-17-6-3-4-9-20(17)18/h3-14H,15H2,1-2H3,(H,27,28)
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n/an/a 2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM31754
PNG
(MLS-0010366.0001 | N-(5-phenyl-1,2,4-thiadiazol-3-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C20H14N6OS3/c27-16(21-18-22-17(30-25-18)14-9-5-2-6-10-14)12-29-20-24-23-19-26(20)15(11-28-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,25,27)
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41083
PNG
(5-chloro-4-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-en...)
Show SMILES COC(=O)c1cc(Cl)c(NC(=O)\C=C\c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C18H15Cl2NO4/c1-24-16-10-15(14(20)9-13(16)18(23)25-2)21-17(22)8-5-11-3-6-12(19)7-4-11/h3-10H,1-2H3,(H,21,22)/b8-5+
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41053
PNG
(5-(1-piperidinyl)-3-pyrazolo[1,5-a]quinazolinecarb...)
Show SMILES N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc21
Show InChI InChI=1S/C16H15N5/c17-10-12-11-18-21-14-7-3-2-6-13(14)16(19-15(12)21)20-8-4-1-5-9-20/h2-3,6-7,11H,1,4-5,8-9H2
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM34176
PNG
((3E)-6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-ylide...)
Show SMILES COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O3/c1-23-13-7-8-15-12(9-13)10-14(17(22)19-15)16-20-18(24-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,22)
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41071
PNG
(2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoy...)
Show SMILES Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)
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n/an/a>2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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n/an/a 2.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41056
PNG
(2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoy...)
Show SMILES Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18ClN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)
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n/an/a 2.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41004
PNG
(2-(5-bromanylfuran-2-yl)-3,1-benzoxazin-4-one | 2-...)
Show SMILES Brc1ccc(o1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C12H6BrNO3/c13-10-6-5-9(16-10)11-14-8-4-2-1-3-7(8)12(15)17-11/h1-6H
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40985
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40964
PNG
(4-chloranyl-N-(1-propylbenzimidazol-2-yl)-3-pyrrol...)
Show SMILES CCCn1c(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
Show InChI InChI=1S/C21H23ClN4O3S/c1-2-11-26-18-8-4-3-7-17(18)23-21(26)24-20(27)15-9-10-16(22)19(14-15)30(28,29)25-12-5-6-13-25/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,23,24,27)
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n/an/a 2.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41050
PNG
((5Z)-5-(4-chlorobenzylidene)-4-(p-phenetidino)-3-t...)
Show SMILES CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-23-15-9-7-14(8-10-15)20-17-16(24-18(22)21-17)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)
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n/an/a 2.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50106345
PNG
(4-(4-Methyl-piperazin-1-yl)-phenylamine | CHEMBL34...)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1
Show InChI InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
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n/an/a 2.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40991
PNG
(5,6-bis(2-furanyl)-4-furo[2,3-d]pyrimidinamine | 5...)
Show SMILES Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
Show InChI InChI=1S/C14H9N3O3/c15-13-11-10(8-3-1-5-18-8)12(9-4-2-6-19-9)20-14(11)17-7-16-13/h1-7H,(H2,15,16,17)
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n/an/a 2.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40551
PNG
(2-(1H-quinolin-4-ylidene)indane-1,3-quinone | 2-(1...)
Show SMILES O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,16H
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n/an/a 3.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40324
PNG
((4Z)-2-nitro-4-[(2-thiazolylhydrazo)methylidene]-1...)
Show SMILES [O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O
Show InChI InChI=1S/C10H7N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-5H,6H2/q-1/p+1
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n/an/a 3.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM39316
PNG
((3Z)-3-[(3,4,5-trimethoxyanilino)methylene]oxindol...)
Show SMILES COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H18N2O4/c1-22-15-8-11(9-16(23-2)17(15)24-3)19-10-13-12-6-4-5-7-14(12)20-18(13)21/h4-10,13H,1-3H3,(H,20,21)
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n/an/a 3.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41047
PNG
(5-(4-fluorophenyl)-7-phenyl-4-pyrido[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)24-19-17(15)18(21)22-11-23-19/h1-11H,(H2,21,22,23,24)
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n/an/a 3.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40958
PNG
((6E)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6...)
Show SMILES COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
Show InChI InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
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n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41070
PNG
(2-(2-Phenoxy-acetylamino)-4,5,6,7-tetrahydro-benzo...)
Show SMILES O=C(COc1ccccc1)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H23N3O3S/c27-20(15-29-17-8-2-1-3-9-17)26-23-21(18-10-4-5-11-19(18)30-23)22(28)25-14-16-7-6-12-24-13-16/h1-3,6-9,12-13H,4-5,10-11,14-15H2,(H,25,28)(H,26,27)
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n/an/a 3.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41059
PNG
((5E)-5-[3-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]...)
Show SMILES CCOc1cc(\C=C2\NC(=S)NC2=O)ccc1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N3O5S/c1-2-26-17-10-13(9-15-18(23)21-19(28)20-15)5-8-16(17)27-11-12-3-6-14(7-4-12)22(24)25/h3-10H,2,11H2,1H3,(H2,20,21,23,28)/b15-9+
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n/an/a 3.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40974
PNG
((3Z)-3-[(3,4-dimethoxyanilino)methylene]oxindole |...)
Show SMILES COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H16N2O3/c1-21-15-8-7-11(9-16(15)22-2)18-10-13-12-5-3-4-6-14(12)19-17(13)20/h3-10,13H,1-2H3,(H,19,20)
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n/an/a 3.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%