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BDBM227933 US10047096, 194::rac-8-({4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-5-oxo-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl}methyl)-3-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione

SMILES: CC1NC(=O)C2CN(Cc3ccc4Nc5nccc(Nc6cc(O)c(C)cc6F)c5C(=O)Nc4c3)CCN2C1=O

InChI Key: InChIKey=JYRPSPNQBJTHFR-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 = 227933   
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))
BDBM227933
PNG
(US10047096, 194 | rac-8-({4-[(2-Fluoro-5-hydroxy-4...)
Show SMILES CC1NC(=O)C2CN(Cc3ccc4Nc5nccc(Nc6cc(O)c(C)cc6F)c5C(=O)Nc4c3)CCN2C1=O
Show InChI InChI=1S/C28H28FN7O4/c1-14-9-17(29)20(11-23(14)37)32-19-5-6-30-25-24(19)27(39)34-21-10-16(3-4-18(21)33-25)12-35-7-8-36-22(13-35)26(38)31-15(2)28(36)40/h3-6,9-11,15,22,37H,7-8,12-13H2,1-2H3,(H,31,38)(H,34,39)(H2,30,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.92n/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))
BDBM227933
PNG
(US10047096, 194 | rac-8-({4-[(2-Fluoro-5-hydroxy-4...)
Show SMILES CC1NC(=O)C2CN(Cc3ccc4Nc5nccc(Nc6cc(O)c(C)cc6F)c5C(=O)Nc4c3)CCN2C1=O
Show InChI InChI=1S/C28H28FN7O4/c1-14-9-17(29)20(11-23(14)37)32-19-5-6-30-25-24(19)27(39)34-21-10-16(3-4-18(21)33-25)12-35-7-8-36-22(13-35)26(38)31-15(2)28(36)40/h3-6,9-11,15,22,37H,7-8,12-13H2,1-2H3,(H,31,38)(H,34,39)(H2,30,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.692n/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