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BDBM445962 US10669246, Example 14::US10968188, Example 14

SMILES: Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1

InChI Key: InChIKey=WJUMXJCIOLETKL-KGLIPLIRSA-N

Data: 1 KI  7 IC50

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 8 hits for monomerid = 445962   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.34E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)

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


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.34E+3n/an/an/an/an/an/a



1ST Biotherapeutics, Inc.

US Patent


Assay Description
ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), Manganese(II) chloride (MnCl2), Bovine serum albumin (BSA) and dimethylsulf...


US Patent US10669246 (2020)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 143n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
PDGFRα kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human PDGFRα (40 ng) is incubated with 5 &#...


US Patent US10968188 (2021)

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


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
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PC sid
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US Patent
n/an/a 1.30n/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))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 143n/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) and dimethylsulfoxide (DMSO) were purchased from...


US Patent US10669246 (2020)

More data for this
Ligand-Target Pair