BindingDB logo
myBDB logout

BDBM227934 US10047096, 195::trans-3-[({4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-5-oxo-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl}methyl)amino]cyclobutanecarboxylic acid

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5C[C@@H](C5)C(O)=O)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=FYFHKYILOCTNFL-SHTZXODSSA-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 = 227934   
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))
BDBM227934
PNG
(US10047096, 195 | trans-3-[({4-[(2-Fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5C[C@@H](C5)C(O)=O)cc4NC(=O)c23)cc1O |r,wU:19.18,wD:21.23,(-10.32,3.64,;-8.99,2.87,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-6.32,1.33,;-4.99,.56,;-4.99,-.98,;-6.32,-1.75,;-6.32,-3.29,;-4.99,-4.06,;-3.65,-3.29,;-2.45,-4.25,;-.95,-3.91,;-.08,-5.18,;1.46,-5.07,;2.12,-3.68,;3.66,-3.68,;4.43,-2.34,;5.77,-1.57,;6.17,-.09,;7.65,-.48,;7.26,-1.97,;8.99,.29,;8.99,1.83,;10.32,-.48,;1.26,-2.41,;-.28,-2.52,;-.95,-1.13,;-2.45,-.79,;-2.85,.7,;-3.65,-1.75,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,)|
Show InChI InChI=1S/C25H24FN5O4/c1-12-6-16(26)19(10-21(12)32)29-18-4-5-27-23-22(18)24(33)31-20-7-13(2-3-17(20)30-23)11-28-15-8-14(9-15)25(34)35/h2-7,10,14-15,28,32H,8-9,11H2,1H3,(H,31,33)(H,34,35)(H2,27,29,30)/t14-,15-
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 1.56n/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))
BDBM227934
PNG
(US10047096, 195 | trans-3-[({4-[(2-Fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5C[C@@H](C5)C(O)=O)cc4NC(=O)c23)cc1O |r,wU:19.18,wD:21.23,(-10.32,3.64,;-8.99,2.87,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-6.32,1.33,;-4.99,.56,;-4.99,-.98,;-6.32,-1.75,;-6.32,-3.29,;-4.99,-4.06,;-3.65,-3.29,;-2.45,-4.25,;-.95,-3.91,;-.08,-5.18,;1.46,-5.07,;2.12,-3.68,;3.66,-3.68,;4.43,-2.34,;5.77,-1.57,;6.17,-.09,;7.65,-.48,;7.26,-1.97,;8.99,.29,;8.99,1.83,;10.32,-.48,;1.26,-2.41,;-.28,-2.52,;-.95,-1.13,;-2.45,-.79,;-2.85,.7,;-3.65,-1.75,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,)|
Show InChI InChI=1S/C25H24FN5O4/c1-12-6-16(26)19(10-21(12)32)29-18-4-5-27-23-22(18)24(33)31-20-7-13(2-3-17(20)30-23)11-28-15-8-14(9-15)25(34)35/h2-7,10,14-15,28,32H,8-9,11H2,1H3,(H,31,33)(H,34,35)(H2,27,29,30)/t14-,15-
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 0.573n/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