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PubMed code 20121196

Compile data set for download or QSAR
Found 12 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))		BDBM50307266
PNG
(2-[4-(1,4-dihydro-6-methyl-4-oxo[1]benzothieno[2,3...)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1nc2sc3ccc(C)cc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H16N2O5S/c1-10-3-6-15-12(7-10)17-19(25)21-18(22-20(17)28-15)11-4-5-13(14(8-11)26-2)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50307266
PNG
(2-[4-(1,4-dihydro-6-methyl-4-oxo[1]benzothieno[2,3...)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1nc2sc3ccc(C)cc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H16N2O5S/c1-10-3-6-15-12(7-10)17-19(25)21-18(22-20(17)28-15)11-4-5-13(14(8-11)26-2)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of SRC

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50307266
PNG
(2-[4-(1,4-dihydro-6-methyl-4-oxo[1]benzothieno[2,3...)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1nc2sc3ccc(C)cc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H16N2O5S/c1-10-3-6-15-12(7-10)17-19(25)21-18(22-20(17)28-15)11-4-5-13(14(8-11)26-2)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of EGFR

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307264
PNG
(2-[4-(1,4-dihydro-7-methyl-4-oxo[1]benzothieno[2,3...)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1nc2sc3cc(C)ccc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H16N2O5S/c1-10-3-5-12-15(7-10)28-20-17(12)19(25)21-18(22-20)11-4-6-13(14(8-11)26-2)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307265
PNG
(2-[4-(1,4-dihydro-7-ethyl-4-oxo[1]benzothieno[2,3-...)
Show SMILES CCc1ccc2c(c1)sc1nc([nH]c(=O)c21)-c1ccc(OCC(O)=O)c(OC)c1
Show InChI InChI=1S/C21H18N2O5S/c1-3-11-4-6-13-16(8-11)29-21-18(13)20(26)22-19(23-21)12-5-7-14(15(9-12)27-2)28-10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,22,23,26)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50307260
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-methox...)
Show SMILES COc1cc(\C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H24N2O4S/c1-14-9-15(2)11-17(10-14)27-7-4-8-28-18-6-5-16(12-19(18)26-3)13-20-21(25)24-22(23)29-20/h5-6,9-13H,4,7-8H2,1-3H3,(H2,23,24,25)/b20-13-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of SRC

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307260
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-methox...)
Show SMILES COc1cc(\C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H24N2O4S/c1-14-9-15(2)11-17(10-14)27-7-4-8-28-18-6-5-16(12-19(18)26-3)13-20-21(25)24-22(23)29-20/h5-6,9-13H,4,7-8H2,1-3H3,(H2,23,24,25)/b20-13-
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n/an/a 2.30E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50307260
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-methox...)
Show SMILES COc1cc(\C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H24N2O4S/c1-14-9-15(2)11-17(10-14)27-7-4-8-28-18-6-5-16(12-19(18)26-3)13-20-21(25)24-22(23)29-20/h5-6,9-13H,4,7-8H2,1-3H3,(H2,23,24,25)/b20-13-
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n/an/a 4.70E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of InsR

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307261
PNG
(CHEMBL597990 | [2-Methoxy-4-(7-methyl-4-oxo-3,4,5,...)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1nc2sc3CC(C)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H20N2O5S/c1-10-3-5-12-15(7-10)28-20-17(12)19(25)21-18(22-20)11-4-6-13(14(8-11)26-2)27-9-16(23)24/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,23,24)(H,21,22,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50307260
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-methox...)
Show SMILES COc1cc(\C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H24N2O4S/c1-14-9-15(2)11-17(10-14)27-7-4-8-28-18-6-5-16(12-19(18)26-3)13-20-21(25)24-22(23)29-20/h5-6,9-13H,4,7-8H2,1-3H3,(H2,23,24,25)/b20-13-
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n/an/a 5.60E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of EGFR

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307262
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-ethoxy...)
Show SMILES CCOc1cc(\C=C2/NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H26N2O4S/c1-4-27-21-14-17(13-19-22(26)25-23(30)24-19)6-7-20(21)29-9-5-8-28-18-11-15(2)10-16(3)12-18/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,24,25,26,30)/b19-13-
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n/an/a 2.50E+5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50307263
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-(metho...)
Show SMILES COCc1cc(\C=C2/NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H26N2O4S/c1-15-9-16(2)11-19(10-15)28-7-4-8-29-21-6-5-17(12-18(21)14-27-3)13-20-22(26)25-23(30)24-20/h5-6,9-13H,4,7-8,14H2,1-3H3,(H2,24,25,26,30)/b20-13-
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n/an/a 3.30E+6n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1

J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%