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BDBM227801 4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one::US10047096, 64

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=JVVXCTKZKBXESA-JKSUJKDBSA-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 = 227801   
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))
BDBM227801
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O |r|
Show InChI InChI=1S/C25H26FN5O4/c1-13-6-17(26)20(9-22(13)34)28-19-4-5-27-24-23(19)25(35)30-21-7-14(2-3-18(21)29-24)10-31-11-16(33)8-15(31)12-32/h2-7,9,15-16,32-34H,8,10-12H2,1H3,(H,30,35)(H2,27,28,29)/t15-,16+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.680n/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))
BDBM227801
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O |r|
Show InChI InChI=1S/C25H26FN5O4/c1-13-6-17(26)20(9-22(13)34)28-19-4-5-27-24-23(19)25(35)30-21-7-14(2-3-18(21)29-24)10-31-11-16(33)8-15(31)12-32/h2-7,9,15-16,32-34H,8,10-12H2,1H3,(H,30,35)(H2,27,28,29)/t15-,16+/m0/s1
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 0.287n/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