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BDBM50528541 CHEMBL4437631

SMILES: CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1

InChI Key: InChIKey=ZXPUKEPQYKBOHH-JOCHJYFZSA-N

Data: 10 IC50  1 Kd

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 11 hits for monomerid = 50528541   
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
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human TrkC expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE ass...

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/an/a 5.90n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 933n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human DDR2

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human ABL1

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRB

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 3.44E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human KIT

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human DDR1 (440 to 876 amino acids) expressed in baculovirus using fluorescein-poly GAT as substrate after 1 hr ...

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 933n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human DDR2 expressed in baculovirus using fluorescein-poly GAT as substrate after 1 hr by FRET-based LanthaScree...

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human TrkA expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE ass...

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human TrkB expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE ass...

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50528541
PNG
(CHEMBL4437631)
Show SMILES CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
Show InChI InChI=1S/C26H23F3N6O/c1-16-13-35(15-32-16)23-9-20(26(27,28)29)8-21(10-23)33-25(36)18-4-3-17-6-22(7-19(17)5-18)34(2)24-11-30-14-31-12-24/h3-5,8-15,22H,6-7H2,1-2H3,(H,33,36)/t22-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human TrkC

J Med Chem 62: 7431-7444 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00365
More data for this
Ligand-Target Pair