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BDBM378843 US10266528, Compound 18

SMILES: CC1(CC1)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12

InChI Key: InChIKey=ITGWLRPJMKSOMS-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 378843   
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))
BDBM378843
PNG
(US10266528, Compound 18)
Show SMILES CC1(CC1)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C21H17F3N6O3/c1-20(5-6-20)18-29-17(33-30-18)16(31)26-9-11-3-2-10(8-13(11)21(22,23)24)12-4-7-25-15-14(12)27-19(32)28-15/h2-4,7-8H,5-6,9H2,1H3,(H,26,31)(H2,25,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Briefly, 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC...


US Patent US10266528 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S6R
More data for this
Ligand-Target Pair