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BDBM227948 8-{[(2-Aminoethyl)(methyl)amino]methyl}-4-[(2-fluoro-5-hydroxy-4-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one::US10047096, 209

SMILES: CN(CCN)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1

InChI Key: InChIKey=WJIAKJKQRZFXIW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 227948   
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))
BDBM227948
PNG
(8-{[(2-Aminoethyl)(methyl)amino]methyl}-4-[(2-fluo...)
Show SMILES CN(CCN)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H25FN6O2/c1-13-9-15(24)18(11-20(13)31)27-17-5-7-26-22-21(17)23(32)29-19-10-14(3-4-16(19)28-22)12-30(2)8-6-25/h3-5,7,9-11,31H,6,8,12,25H2,1-2H3,(H,29,32)(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.739n/an/an/an/a7.522



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM227948
PNG
(8-{[(2-Aminoethyl)(methyl)amino]methyl}-4-[(2-fluo...)
Show SMILES CN(CCN)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H25FN6O2/c1-13-9-15(24)18(11-20(13)31)27-17-5-7-26-22-21(17)23(32)29-19-10-14(3-4-16(19)28-22)12-30(2)8-6-25/h3-5,7,9-11,31H,6,8,12,25H2,1-2H3,(H,29,32)(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.789n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair