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BDBM227771 8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydroxy-4-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one acetic acid salt::US10047096, 226::US10047096, 34

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=IMFSTVJNACYASP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 227771   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM227771
PNG
(8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.34n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227771
PNG
(8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.09n/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))
BDBM227771
PNG
(8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.472n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227771
PNG
(8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)
PDB
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.06n/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