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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 366.4
BDBM445964

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
>1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
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 7.80n/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)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/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)


BindingDB Entry DOI: 10.7270/Q24F1TSZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/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)


BindingDB Entry DOI: 10.7270/Q24F1TSZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/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)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+3n/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)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+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), Bovine serum albumin (BSA) and dimethylsulfoxide (DMSO) were purchased from...


US Patent US10669246 (2020)


BindingDB Entry DOI: 10.7270/Q24F1TSZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q24F1TSZ
More data for this
Ligand-Target Pair