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SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)C1CC2(C1)CN(C2)C(=O)C=C

InChI Key: InChIKey=NYZAVMKJNXRITD-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 303591   
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))
BDBM303591
PNG
(US10138229, Example 103 | US10875852, Example 103)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)C1CC2(C1)CN(C2)C(=O)C=C
Show InChI InChI=1S/C24H24N6O3/c1-2-19(31)29-13-24(14-29)10-15(11-24)30-22(25)20(23(26)32)21(28-30)18-9-8-17(12-27-18)33-16-6-4-3-5-7-16/h2-9,12,15H,1,10-11,13-14,25H2,(H2,26,32)
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 2.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...


US Patent US10875852 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303591
PNG
(US10138229, Example 103 | US10875852, Example 103)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)C1CC2(C1)CN(C2)C(=O)C=C
Show InChI InChI=1S/C24H24N6O3/c1-2-19(31)29-13-24(14-29)10-15(11-24)30-22(25)20(23(26)32)21(28-30)18-9-8-17(12-27-18)33-16-6-4-3-5-7-16/h2-9,12,15H,1,10-11,13-14,25H2,(H2,26,32)
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 2.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...


US Patent US10138229 (2018)


BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair