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SMILES: Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1

InChI Key: InChIKey=BOQLSYBMPFBUNE-UHFFFAOYSA-N

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 4 hits for monomerid = 97863   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM97863
PNG
(US8481536, 411 | US8481536, 589)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C26H29N7OS/c1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14.6n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM97863
PNG
(US8481536, 411 | US8481536, 589)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C26H29N7OS/c1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32)
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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 66.1n/an/an/an/an/a37



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM97863
PNG
(US8481536, 411 | US8481536, 589)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C26H29N7OS/c1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32)
PDB
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US Patent
n/an/a 60n/an/an/an/an/an/a



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM97863
PNG
(US8481536, 411 | US8481536, 589)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C26H29N7OS/c1-16-7-6-8-17(2)22(16)19-13-18(3)23-20(14-19)31-32-25(29-23)30-26-28-21(15-35-26)24(34)27-9-12-33-10-4-5-11-33/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,27,34)(H,28,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.30n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair