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Patent code US10329280

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM400232
PNG
(US10329280, Compound II-1)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2cnn(c2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C18H16FN7O/c1-10-5-6-12(19)14(7-10)23-18(27)22-11-8-21-26(9-11)15-4-2-3-13-16(15)17(20)25-24-13/h2-9H,1H3,(H3,20,24,25)(H2,22,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 5.10E+5n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan™) was used to measure the ability of the compound to compete for binding of an immobilized adenosin...


US Patent US10329280 (2019)

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


(Homo sapiens (Human))
BDBM400230
PNG
(US10329280, Compound I-1)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccn3nncc23)c1
Show InChI InChI=1S/C20H16FN5O/c1-13-4-9-17(21)18(11-13)24-20(27)23-15-7-5-14(6-8-15)16-3-2-10-26-19(16)12-22-25-26/h2-12H,1H3,(H2,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.30E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan™) was used to measure the ability of the compound to compete for binding of an immobilized adenosin...


US Patent US10329280 (2019)

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


(Homo sapiens (Human))
BDBM196652
PNG
(US10329280, Compound I-2 | US9212145, I-2)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3nnc(N)n23)c1
Show InChI InChI=1S/C20H17FN6O/c1-12-5-10-15(21)16(11-12)24-20(28)23-14-8-6-13(7-9-14)17-3-2-4-18-25-26-19(22)27(17)18/h2-11H,1H3,(H2,22,26)(H2,23,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 2.80E+3n/an/an/an/an/a



Kala Pharmaceuticals, Inc.

US Patent


Assay Description
A competition binding assay (DiscoveRx KINOMEscan™) was used to measure the ability of the compound to compete for binding of an immobilized adenosin...


US Patent US10329280 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%