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PubMed code 18610999

Compile data set for download or QSAR
Found 24 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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 320n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263015
PNG
(CHEMBL478611 | epihematoxylol)
Show SMILES O[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1
Show InChI InChI=1/C16H16O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,15,17-22H,6-7H2/t15-,16-/s2
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n/an/a 360n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50263015
PNG
(CHEMBL478611 | epihematoxylol)
Show SMILES O[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1
Show InChI InChI=1/C16H16O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,15,17-22H,6-7H2/t15-,16-/s2
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n/an/a 360n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 400n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 440n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50263015
PNG
(CHEMBL478611 | epihematoxylol)
Show SMILES O[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1
Show InChI InChI=1/C16H16O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,15,17-22H,6-7H2/t15-,16-/s2
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n/an/a 560n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50263016
PNG
(CHEMBL477560 | hematoxylene)
Show SMILES Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O
Show InChI InChI=1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2
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n/an/a 600n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50263015
PNG
(CHEMBL478611 | epihematoxylol)
Show SMILES O[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1
Show InChI InChI=1/C16H16O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,15,17-22H,6-7H2/t15-,16-/s2
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n/an/a 700n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50263016
PNG
(CHEMBL477560 | hematoxylene)
Show SMILES Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O
Show InChI InChI=1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2
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n/an/a 760n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O
Show InChI InChI=1/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/s2
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n/an/a 850n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 960n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263016
PNG
(CHEMBL477560 | hematoxylene)
Show SMILES Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O
Show InChI InChI=1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O
Show InChI InChI=1/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263015
PNG
(CHEMBL478611 | epihematoxylol)
Show SMILES O[C@@H]1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1
Show InChI InChI=1/C16H16O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,15,17-22H,6-7H2/t15-,16-/s2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of Flt1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O
Show InChI InChI=1/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O
Show InChI InChI=1/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/s2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50263016
PNG
(CHEMBL477560 | hematoxylene)
Show SMILES Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O
Show InChI InChI=1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O
Show InChI InChI=1/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/s2
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n/an/a 6.10E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263016
PNG
(CHEMBL477560 | hematoxylene)
Show SMILES Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O
Show InChI InChI=1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2
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n/an/a 8.60E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of EphB2 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%