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BDBM191609 US9181263, 3::US9278100, 3

SMILES: CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

InChI Key: InChIKey=PHFLKOZUXLCTPT-UXBLZVDNNA-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 = 191609   
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))
BDBM191609
PNG
(US9181263, 3 | US9278100, 3)
Show SMILES CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O3/c1-34(17-18-37)15-6-10-25(38)35-16-5-7-22(19-35)36-29-26(28(30)31-20-32-29)27(33-36)21-11-13-24(14-12-21)39-23-8-3-2-4-9-23/h2-4,6,8-14,20,22,37H,5,7,15-19H2,1H3,(H2,30,31,32)/b10-6+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM191609
PNG
(US9181263, 3 | US9278100, 3)
Show SMILES CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O3/c1-34(17-18-37)15-6-10-25(38)35-16-5-7-22(19-35)36-29-26(28(30)31-20-32-29)27(33-36)21-11-13-24(14-12-21)39-23-8-3-2-4-9-23/h2-4,6,8-14,20,22,37H,5,7,15-19H2,1H3,(H2,30,31,32)/b10-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74.5n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM191609
PNG
(US9181263, 3 | US9278100, 3)
Show SMILES CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O3/c1-34(17-18-37)15-6-10-25(38)35-16-5-7-22(19-35)36-29-26(28(30)31-20-32-29)27(33-36)21-11-13-24(14-12-21)39-23-8-3-2-4-9-23/h2-4,6,8-14,20,22,37H,5,7,15-19H2,1H3,(H2,30,31,32)/b10-6+
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 21n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM191609
PNG
(US9181263, 3 | US9278100, 3)
Show SMILES CN(CCO)C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1/C29H33N7O3/c1-34(17-18-37)15-6-10-25(38)35-16-5-7-22(19-35)36-29-26(28(30)31-20-32-29)27(33-36)21-11-13-24(14-12-21)39-23-8-3-2-4-9-23/h2-4,6,8-14,20,22,37H,5,7,15-19H2,1H3,(H2,30,31,32)/b10-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74.5n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair