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BDBM227967 8-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}-4-[(2-fluoro-5-hydroxy-4-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one::US10047096, 227

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCN(CC(F)F)CC5)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=GAKOWURXFQKQGU-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 = 227967   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227967
PNG
(8-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCN(CC(F)F)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27F3N6O2/c1-15-10-17(27)20(12-22(15)36)31-19-4-5-30-25-24(19)26(37)33-21-11-16(2-3-18(21)32-25)13-34-6-8-35(9-7-34)14-23(28)29/h2-5,10-12,23,36H,6-9,13-14H2,1H3,(H,33,37)(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.38n/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))
BDBM227967
PNG
(8-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCN(CC(F)F)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27F3N6O2/c1-15-10-17(27)20(12-22(15)36)31-19-4-5-30-25-24(19)26(37)33-21-11-16(2-3-18(21)32-25)13-34-6-8-35(9-7-34)14-23(28)29/h2-5,10-12,23,36H,6-9,13-14H2,1H3,(H,33,37)(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.957n/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