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SMILES: CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1

InChI Key: InChIKey=ADZBMFGQQWPHMJ-RHSMWYFYSA-N

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 9 hits for monomerid = 50460035   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)

J Med Chem 61: 5450-5466 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00873
BindingDB Entry DOI: 10.7270/Q2P55R5S
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/an/a 3.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type CSF1R (I564 to S939 residues) expressed in bacterial expression system by kinome scan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/an/a 8.70E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type FLT3 (V592 to Y969 residues) expressed in bacterial expression system by kinome scan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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KEGG

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n/an/an/a 210n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type PDGFRalpha (V575 to D1002 residues) expressed in mammalian expression system by kinome scan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/a 579n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDGFRbeta phosphorylation in PDGF-DD induced human HEK293-TetR cells incubated for 1 hr followed by PDGF-DD stimulation and measu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/a 155n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R phosphorylation in M-CSF induced human THP1 cells incubated for 30 mins by ELISA assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/an/a 46n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type PDGFRbeta (V582 to Y1009 residues) expressed in bacterial expression system by kinome scan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50460035
PNG
(CHEMBL4227505)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to c-Kit (unknown origin) by kinome scan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00936
BindingDB Entry DOI: 10.7270/Q2Q81HSS
More data for this
Ligand-Target Pair