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BDBM227794 US10047096, 57::rac-1-({4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-5-oxo-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl}methyl)piperidine-3-carboxamide

SMILES: Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O

InChI Key: InChIKey=ZCSZQHZLTLCNBJ-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 = 227794   
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))
BDBM227794
PNG
(US10047096, 57 | rac-1-({4-[(2-Fluoro-5-hydroxy-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27FN6O3/c1-14-9-17(27)20(11-22(14)34)30-19-6-7-29-25-23(19)26(36)32-21-10-15(4-5-18(21)31-25)12-33-8-2-3-16(13-33)24(28)35/h4-7,9-11,16,34H,2-3,8,12-13H2,1H3,(H2,28,35)(H,32,36)(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM227794
PNG
(US10047096, 57 | rac-1-({4-[(2-Fluoro-5-hydroxy-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27FN6O3/c1-14-9-17(27)20(11-22(14)34)30-19-6-7-29-25-23(19)26(36)32-21-10-15(4-5-18(21)31-25)12-33-8-2-3-16(13-33)24(28)35/h4-7,9-11,16,34H,2-3,8,12-13H2,1H3,(H2,28,35)(H,32,36)(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.330n/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)

More data for this
Ligand-Target Pair