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BDBM33408 AG1295::CHEMBL7724::cid_2048

SMILES: Cc1cc2ncc(nc2cc1C)-c1ccccc1

InChI Key: InChIKey=FQNCLVJEQCJWSU-UHFFFAOYSA-N

Data: 9 IC50  1 EC50

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 10 hits for monomerid = 33408   
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 beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Duquesne University



Assay Description
Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI D...

Bioorg Med Chem 17: 7324-36 (2009)


Article DOI: 10.1016/j.bmc.2009.08.044
BindingDB Entry DOI: 10.7270/Q2ZC8167
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...

PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells

J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts

J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFR beta phosphorylation in human SF539 cells overexpressing PDGFR beta pretreated for 60 mins prior to PDGF-BB addit...

Bioorg Med Chem 21: 1312-23 (2013)


Article DOI: 10.1016/j.bmc.2012.12.045
BindingDB Entry DOI: 10.7270/Q25140KN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
KEGG

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CHEMBL
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts

Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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UniChem

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n/an/a 6.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) expressed in human tumor cells

Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta

Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
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UniChem

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n/an/a 6.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFBB-induced PDGFRbeta autophosphorylation in human SF539 cells incubated for 60 mins prior to PDGFBB-induction measured after 10 min...

Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM33408
PNG
(AG1295 | CHEMBL7724 | cid_2048)
Show SMILES Cc1cc2ncc(nc2cc1C)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells

Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair