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BDBM227781 8-{[4-(2-Hydroxyethyl)piperazin-1-yl]methyl}-4-[(5-hydroxy-2-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one::US10047096, 44

SMILES: Cc1ccc(O)cc1Nc1ccnc2Nc3ccc(CN4CCN(CCO)CC4)cc3NC(=O)c12

InChI Key: InChIKey=XDUJIOOKDGVYSU-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 = 227781   
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))
BDBM227781
PNG
(8-{[4-(2-Hydroxyethyl)piperazin-1-yl]methyl}-4-[(5...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2Nc3ccc(CN4CCN(CCO)CC4)cc3NC(=O)c12
Show InChI InChI=1S/C26H30N6O3/c1-17-2-4-19(34)15-22(17)28-21-6-7-27-25-24(21)26(35)30-23-14-18(3-5-20(23)29-25)16-32-10-8-31(9-11-32)12-13-33/h2-7,14-15,33-34H,8-13,16H2,1H3,(H,30,35)(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19.8n/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))
BDBM227781
PNG
(8-{[4-(2-Hydroxyethyl)piperazin-1-yl]methyl}-4-[(5...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2Nc3ccc(CN4CCN(CCO)CC4)cc3NC(=O)c12
Show InChI InChI=1S/C26H30N6O3/c1-17-2-4-19(34)15-22(17)28-21-6-7-27-25-24(21)26(35)30-23-14-18(3-5-20(23)29-25)16-32-10-8-31(9-11-32)12-13-33/h2-7,14-15,33-34H,8-13,16H2,1H3,(H,30,35)(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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