BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)\C=C\CN1CCOCC1

InChI Key: InChIKey=UIMXLJQVOUQSQY-QPJJXVBHSA-N

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 2 hits for monomerid = 303565   
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))
BDBM303565
PNG
(US10138229, Example 77 | US10875852, Example 77)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C30H34N6O4/c31-28-26(29(32)38)27(21-8-10-24(11-9-21)40-23-5-2-1-3-6-23)33-36(28)22-17-30(18-22)19-35(20-30)25(37)7-4-12-34-13-15-39-16-14-34/h1-11,22H,12-20,31H2,(H2,32,38)/b7-4+
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 1.90n/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))
BDBM303565
PNG
(US10138229, Example 77 | US10875852, Example 77)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C30H34N6O4/c31-28-26(29(32)38)27(21-8-10-24(11-9-21)40-23-5-2-1-3-6-23)33-36(28)22-17-30(18-22)19-35(20-30)25(37)7-4-12-34-13-15-39-16-14-34/h1-11,22H,12-20,31H2,(H2,32,38)/b7-4+
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 1.90n/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