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BDBM50129839 CHEMBL3628808

SMILES: Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1

InChI Key: InChIKey=PUIMLXYJXGFFNV-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50129839   
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 6n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

NCI pathway
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PubMed
n/an/a 570n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human EGFR after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Raf (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50129839
PNG
(CHEMBL3628808)
Show SMILES Brc1cccc(NC(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)c1
Show InChI InChI=1S/C19H13BrN4O2S/c20-12-2-1-3-14(10-12)24-19(25)23-13-4-6-15(7-5-13)26-17-16-8-9-27-18(16)22-11-21-17/h1-11H,(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) by radiometric protein kinase assay


Bioorg Med Chem 23: 7340-7 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ67VR
More data for this
Ligand-Target Pair