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BDBM259411 US10457647, Example 10::US9512084, 10

SMILES: CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C

InChI Key: InChIKey=IAYBKCJXAWWUAV-UHFFFAOYSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 259411   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM259411
PNG
(US10457647, Example 10 | US9512084, 10)
Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)
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US Patent
n/an/a 4n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...


US Patent US9512084 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FMH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM259411
PNG
(US10457647, Example 10 | US9512084, 10)
Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)
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US Patent
n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...


US Patent US10457647 (2019)


BindingDB Entry DOI: 10.7270/Q2KH0QPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM259411
PNG
(US10457647, Example 10 | US9512084, 10)
Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HT...


J Med Chem 63: 5102-5118 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01916
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM259411
PNG
(US10457647, Example 10 | US9512084, 10)
Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay


J Med Chem 63: 5102-5118 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01916
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM259411
PNG
(US10457647, Example 10 | US9512084, 10)
Show SMILES CC#CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C
Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)35(3)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h8-9,12-15,17H,6-7,10-11H2,1-3H3,(H,34,37)(H2,31,32,33)
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n/an/a 161n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by a...


J Med Chem 63: 5102-5118 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01916
More data for this
Ligand-Target Pair