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SMILES: Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=KWYUIJZBVYLJQO-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 390043   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390043
PNG
(US10323037, Example 56 | US9951077, 56)
Show SMILES Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C26H24FN5O3/c1-2-22(33)31-13-5-6-17(14-31)32-15-19(23-24(32)26(34)30-29-25(23)28)16-9-11-18(12-10-16)35-21-8-4-3-7-20(21)27/h2-4,7-12,15,17H,1,5-6,13-14H2,(H2,28,29)(H,30,34)/t17-/m1/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<10n/an/an/an/an/an/a



JIANGSU HENGRUI MEDICINE CO., LTD.

US Patent


Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


US Patent US10323037 (2019)


BindingDB Entry DOI: 10.7270/Q2W098BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390043
PNG
(US10323037, Example 56 | US9951077, 56)
Show SMILES Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C26H24FN5O3/c1-2-22(33)31-13-5-6-17(14-31)32-15-19(23-24(32)26(34)30-29-25(23)28)16-9-11-18(12-10-16)35-21-8-4-3-7-20(21)27/h2-4,7-12,15,17H,1,5-6,13-14H2,(H2,28,29)(H,30,34)/t17-/m1/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<10n/an/an/an/an/an/a



GSK



Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


Bioorg Med Chem Lett 17: 3972-7 (2007)


BindingDB Entry DOI: 10.7270/Q2MG7RV0
More data for this
Ligand-Target Pair