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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50260010   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50260010
PNG
(CHEMBL4096111)
Show SMILES CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O/c1-19-9-21-3-4-22(12-23(21)17-37(19)26-14-32-18-33-15-26)27(38)34-25-11-20(10-24(13-25)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,10-15,18-19H,5-9,16-17H2,1-2H3,(H,34,38)
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n/an/a 545n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate m...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50260010
PNG
(CHEMBL4096111)
Show SMILES CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O/c1-19-9-21-3-4-22(12-23(21)17-37(19)26-14-32-18-33-15-26)27(38)34-25-11-20(10-24(13-25)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,10-15,18-19H,5-9,16-17H2,1-2H3,(H,34,38)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260010
PNG
(CHEMBL4096111)
Show SMILES CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O/c1-19-9-21-3-4-22(12-23(21)17-37(19)26-14-32-18-33-15-26)27(38)34-25-11-20(10-24(13-25)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,10-15,18-19H,5-9,16-17H2,1-2H3,(H,34,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged c-kit cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system using Ser/Thr 6 ...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50260010
PNG
(CHEMBL4096111)
Show SMILES CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O/c1-19-9-21-3-4-22(12-23(21)17-37(19)26-14-32-18-33-15-26)27(38)34-25-11-20(10-24(13-25)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,10-15,18-19H,5-9,16-17H2,1-2H3,(H,34,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...


ACS Med Chem Lett 8: 327-332 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00497
BindingDB Entry DOI: 10.7270/Q2N0190M
More data for this
Ligand-Target Pair