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BDBM227830 4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({3-hydroxy-4-[(2-hydroxyethyl)amino]pyrrolidin-1-yl}methyl)-6,11-dihydro-5H-pyrido[2, 3-b][1,5]benzodiazepin-5-one::US10047096, 91

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC(O)C(C5)NCCO)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=ZNKAHOBYOWIVNF-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 = 227830   
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))
BDBM227830
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({3...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC(O)C(C5)NCCO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H29FN6O4/c1-14-8-16(27)19(10-22(14)35)30-18-4-5-29-25-24(18)26(37)32-20-9-15(2-3-17(20)31-25)11-33-12-21(23(36)13-33)28-6-7-34/h2-5,8-10,21,23,28,34-36H,6-7,11-13H2,1H3,(H,32,37)(H2,29,30,31)
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 1.66n/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))
BDBM227830
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({3...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC(O)C(C5)NCCO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H29FN6O4/c1-14-8-16(27)19(10-22(14)35)30-18-4-5-29-25-24(18)26(37)32-20-9-15(2-3-17(20)31-25)11-33-12-21(23(36)13-33)28-6-7-34/h2-5,8-10,21,23,28,34-36H,6-7,11-13H2,1H3,(H,32,37)(H2,29,30,31)
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 0.522n/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