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BDBM50221525 6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile::CHEMBL247024

SMILES: N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=IJICIGXZTZGSSZ-LITSAYRRSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50221525   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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400n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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570n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221525
PNG
(6-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)16-27(28)30(25)33-29-17-26(29)23-4-2-1-3-5-23/h1-11,16,19,26,29H,12-15,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PubMed
n/an/a 2.53E+3n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR autophosphorylation in A431 cells


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair