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BDBM227813 US10047096, 75::rac-4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(1-hydroxy-3-methylbutan-2-yl)amino]methyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

SMILES: CC(C)C(CO)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1

InChI Key: InChIKey=AQGHUQFARNGYDN-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 = 227813   
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))
BDBM227813
PNG
(US10047096, 75 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...)
Show SMILES CC(C)C(CO)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C25H28FN5O3/c1-13(2)21(12-32)28-11-15-4-5-17-20(9-15)31-25(34)23-18(6-7-27-24(23)30-17)29-19-10-22(33)14(3)8-16(19)26/h4-10,13,21,28,32-33H,11-12H2,1-3H3,(H,31,34)(H2,27,29,30)
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 0.826n/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))
BDBM227813
PNG
(US10047096, 75 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...)
Show SMILES CC(C)C(CO)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C25H28FN5O3/c1-13(2)21(12-32)28-11-15-4-5-17-20(9-15)31-25(34)23-18(6-7-27-24(23)30-17)29-19-10-22(33)14(3)8-16(19)26/h4-10,13,21,28,32-33H,11-12H2,1-3H3,(H,31,34)(H2,27,29,30)
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 0.706n/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