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BDBM50221520 6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile::CHEMBL245799

SMILES: N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1

InChI Key: InChIKey=ZSFBXECHPWLXOZ-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 = 50221520   
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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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Article
PubMed
280n/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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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UniChem

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Article
PubMed
340n/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)

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


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PubMed
>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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PubMed
>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)

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


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PubMed
>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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PubMed
>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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a 5.26E+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)

More data for this
Ligand-Target Pair