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PubMed code 15787429

Compile data set for download or QSAR
Found 5 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50259898
PNG
(2,5-Dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)-...)
Show SMILES Oc1cc(cc(O)c1O)C1C(=O)C(=O)C(C(=O)C1=O)c1ccccc1 |(23.7,-16.67,;22.86,-15.37,;21.33,-15.44,;20.5,-14.15,;21.2,-12.78,;22.73,-12.7,;23.43,-11.33,;23.57,-14,;25.11,-13.93,;18.96,-14.22,;18.13,-12.92,;18.83,-11.55,;16.59,-13,;15.75,-11.7,;15.89,-14.36,;16.72,-15.66,;16.02,-17.03,;18.26,-15.59,;19.09,-16.88,;14.35,-14.44,;13.51,-13.15,;11.98,-13.22,;11.27,-14.6,;12.1,-15.89,;13.64,-15.82,)|
Show InChI InChI=1S/C18H12O7/c19-10-6-9(7-11(20)14(10)21)13-17(24)15(22)12(16(23)18(13)25)8-4-2-1-3-5-8/h1-7,12-13,19-21H
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n/an/a 3.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay

J Nat Prod 68: 323-6 (2005)


Article DOI: 10.1021/np040150d
BindingDB Entry DOI: 10.7270/Q2N879K8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50259897
PNG
(2,5-Dihydroxy-3-(3,4-dihydroxyphenyl)-6-phenyl-1,4...)
Show SMILES Oc1ccc(cc1O)C1C(=O)C(=O)C(C(=O)C1=O)c1ccccc1 |(4.74,-13.67,;3.2,-13.75,;2.36,-12.45,;.83,-12.52,;.13,-13.89,;.96,-15.19,;2.49,-15.11,;3.32,-16.41,;-1.41,-13.96,;-2.24,-12.67,;-1.54,-11.3,;-3.79,-12.74,;-4.62,-11.44,;-4.48,-14.11,;-3.65,-15.4,;-4.35,-16.77,;-2.12,-15.33,;-1.28,-16.62,;-6.02,-14.18,;-6.86,-12.89,;-8.39,-12.97,;-9.1,-14.34,;-8.27,-15.63,;-6.73,-15.57,)|
Show InChI InChI=1S/C18H12O6/c19-11-7-6-10(8-12(11)20)14-17(23)15(21)13(16(22)18(14)24)9-4-2-1-3-5-9/h1-8,13-14,19-20H
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n/an/a 1.45E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay

J Nat Prod 68: 323-6 (2005)


Article DOI: 10.1021/np040150d
BindingDB Entry DOI: 10.7270/Q2N879K8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50259823
PNG
(2,7,8-Trihydroxy-3-phenyl-1,4-dibenzofurandione | ...)
Show SMILES Oc1cc2oc3c(C(=O)C(=O)C(C3=O)c3ccccc3)c2cc1O
Show InChI InChI=1S/C18H10O6/c19-10-6-9-12(7-11(10)20)24-18-14(9)16(22)15(21)13(17(18)23)8-4-2-1-3-5-8/h1-7,13,19-20H
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n/an/a 2.36E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay

J Nat Prod 68: 323-6 (2005)


Article DOI: 10.1021/np040150d
BindingDB Entry DOI: 10.7270/Q2N879K8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50259896
PNG
(2,5-Dihydroxy-3-(4-hydroxyphenyl)-6-phenyl-1,4-ben...)
Show SMILES Oc1ccc(cc1)C1C(=O)C(=O)C(C(=O)C1=O)c1ccccc1 |(22.55,.44,;21.01,.36,;20.3,-1.01,;18.77,-1.08,;17.94,.22,;18.64,1.58,;20.17,1.66,;16.4,.15,;15.57,1.44,;16.27,2.81,;14.03,1.37,;13.19,2.66,;13.33,0,;14.17,-1.3,;13.46,-2.67,;15.7,-1.22,;16.53,-2.52,;11.79,-.08,;10.95,1.22,;9.42,1.14,;8.71,-.23,;9.54,-1.53,;11.09,-1.46,)|
Show InChI InChI=1S/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,13-14,19H
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n/an/a 3.75E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay

J Nat Prod 68: 323-6 (2005)


Article DOI: 10.1021/np040150d
BindingDB Entry DOI: 10.7270/Q2N879K8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50259895
PNG
(2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone | CHEM...)
Show SMILES O=C1C(C(=O)C(=O)C(C1=O)c1ccccc1)c1ccccc1 |(-5.28,2.61,;-4.44,1.32,;-5.14,-.05,;-4.31,-1.35,;-5.01,-2.72,;-2.77,-1.27,;-1.94,-2.57,;-2.07,.09,;-2.9,1.39,;-2.2,2.76,;-.53,.17,;.3,-1.13,;1.83,-1.06,;2.54,.31,;1.7,1.61,;.17,1.53,;-6.68,-.13,;-7.52,1.16,;-9.05,1.09,;-9.76,-.28,;-8.93,-1.58,;-7.38,-1.51,)|
Show InChI InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,13-14H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay

J Nat Prod 68: 323-6 (2005)


Article DOI: 10.1021/np040150d
BindingDB Entry DOI: 10.7270/Q2N879K8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%