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BDBM50210271 7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-methoxyethoxy)-prop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole::CHEMBL223971

SMILES: COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

InChI Key: InChIKey=UVNBMNWTGOQKQF-UHFFFAOYSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50210271   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 84n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFR by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a<3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Fyn


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Kit


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Hck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50210271
PNG
(7-((1H-1,2,4-triazol-1-yl)methyl)-3-(5-(3-(2-metho...)
Show SMILES COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
Show InChI InChI=1S/C23H21N5O2S/c1-29-7-8-30-6-2-3-19-10-18(13-31-19)22-21-11-17-5-4-16(12-28-15-24-14-25-28)9-20(17)23(21)27-26-22/h4-5,9-10,13-15H,6-8,11-12H2,1H3,(H,26,27)
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n/an/a<3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt1


J Med Chem 50: 2011-29 (2007)


Article DOI: 10.1021/jm061223o
BindingDB Entry DOI: 10.7270/Q2TB16K0
More data for this
Ligand-Target Pair