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BDBM227962 8-{[Ethyl(3-hydroxypropyl)amino]methyl}-4-[(2-fluoro-5-hydroxy-4-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one::US10047096, 222

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

InChI Key: InChIKey=JBIRTAVBFDUZQN-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 = 227962   
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))
BDBM227962
PNG
(8-{[Ethyl(3-hydroxypropyl)amino]methyl}-4-[(2-fluo...)
Show SMILES CCN(CCCO)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C25H28FN5O3/c1-3-31(9-4-10-32)14-16-5-6-18-21(12-16)30-25(34)23-19(7-8-27-24(23)29-18)28-20-13-22(33)15(2)11-17(20)26/h5-8,11-13,32-33H,3-4,9-10,14H2,1-2H3,(H,30,34)(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.01n/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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM227962
PNG
(8-{[Ethyl(3-hydroxypropyl)amino]methyl}-4-[(2-fluo...)
Show SMILES CCN(CCCO)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C25H28FN5O3/c1-3-31(9-4-10-32)14-16-5-6-18-21(12-16)30-25(34)23-19(7-8-27-24(23)29-18)28-20-13-22(33)15(2)11-17(20)26/h5-8,11-13,32-33H,3-4,9-10,14H2,1-2H3,(H,30,34)(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.709n/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)

More data for this
Ligand-Target Pair