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BDBM445996 US10669246, Example 47::US10968188, Example 47

SMILES: Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1

InChI Key: InChIKey=PGPAYKVQFOKRCW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 445996   
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 ABL1


(Homo sapiens (Human))
BDBM445996
PNG
(US10669246, Example 47 | US10968188, Example 47)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C17H14FN3OS/c1-9-12(7-19-8-13(9)18)11-4-5-14-15(6-11)23-17(20-14)21-16(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445996
PNG
(US10669246, Example 47 | US10968188, Example 47)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C17H14FN3OS/c1-9-12(7-19-8-13(9)18)11-4-5-14-15(6-11)23-17(20-14)21-16(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



1ST Biotherapeutics, Inc.

US Patent


Assay Description
ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(β-aminoethyl ether)-N,...


US Patent US10669246 (2020)

More data for this
Ligand-Target Pair