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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'heffernan' and Initial = 'tp'   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50560806
PNG
(CHEMBL4758092)
Show SMILES COc1cc(OCc2ccnc(Nc3cn[nH]c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560807
PNG
(CHEMBL4751287)
Show SMILES Nc1nccc(COc2cc(Cl)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560804
PNG
(CHEMBL4763875)
Show SMILES Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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 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))
BDBM50560786
PNG
(CHEMBL4798876)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560798
PNG
(CHEMBL4795462)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2F)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560791
PNG
(CHEMBL4740157)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560801
PNG
(CHEMBL4798601)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2Cl)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560788
PNG
(CHEMBL4759047)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
PDB

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560812
PNG
(CHEMBL4748740)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560790
PNG
(CHEMBL4741283)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560789
PNG
(CHEMBL4779878)
Show SMILES COc1cc(OCc2ccnc(N)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560816
PNG
(CHEMBL4756510)
Show SMILES Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@@H]4O)sc3c2)c1Cl |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560800
PNG
(CHEMBL4779197)
Show SMILES COc1cc(OCc2ccnc(Nc3cnoc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560793
PNG
(CHEMBL4788945)
Show SMILES Nc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560785
PNG
(CHEMBL4754431)
Show SMILES COc1cc(OCc2ccnc(NC(C)=O)c2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560813
PNG
(CHEMBL4746711)
Show SMILES COc1cc(OCc2ccnc(N)c2Cl)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560797
PNG
(CHEMBL4763289)
Show SMILES COc1cc(OCc2ccnc(Nc3cn(C)nn3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


Citation and Details

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


(Homo sapiens (Human))
BDBM404825
PNG
(1-(4-{6-[2-(pyridin-2- yl)acetamido]pyridazin-3-yl...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1
Show InChI InChI=1S/C26H25F3N8O3/c27-26(28,29)40-21-9-5-6-18(14-21)16-31-25(39)22-17-37(36-34-22)13-4-2-7-19-10-11-23(35-33-19)32-24(38)15-20-8-1-3-12-30-20/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38)
PDB
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Mus musculus (Mouse))
BDBM50560806
PNG
(CHEMBL4758092)
Show SMILES COc1cc(OCc2ccnc(Nc3cn[nH]c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay


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


(Mus musculus (Mouse))
BDBM50560812
PNG
(CHEMBL4748740)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay


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))
BDBM50560792
PNG
(CHEMBL4762843)
Show SMILES COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560809
PNG
(CHEMBL4787609)
Show SMILES COc1cc(OCc2ccnc(Nc3ccn(C)n3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


Citation and Details

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


(Homo sapiens (Human))
BDBM404848
PNG
(N-methyl-1-{4-[6-(2-{4-[3- (trifluoromethoxy)pheny...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(ccn3)-c3cccc(OC(F)(F)F)c3)nn2)nn1
Show InChI InChI=1S/C26H25F3N8O3/c1-30-25(39)22-16-37(36-34-22)12-3-2-6-19-8-9-23(35-33-19)32-24(38)15-20-13-18(10-11-31-20)17-5-4-7-21(14-17)40-26(27,28)29/h4-5,7-11,13-14,16H,2-3,6,12,15H2,1H3,(H,30,39)(H,32,35,38)
PDB
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404911
PNG
((R)-1-(2-fluoro-4-(6-(2-(4-(3- (trifluoromethoxy)p...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)-c3cccc(OC(F)(F)F)c3)nn2)nn1 |r|
Show InChI InChI=1S/C26H24F4N8O3/c1-31-25(40)22-15-38(37-35-22)14-18(27)5-6-19-7-8-23(36-34-19)33-24(39)13-20-11-17(9-10-32-20)16-3-2-4-21(12-16)41-26(28,29)30/h2-4,7-12,15,18H,5-6,13-14H2,1H3,(H,31,40)(H,33,36,39)/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50560815
PNG
(CHEMBL4790139)
Show SMILES CNC(=O)Nc1nccc(COc2cc(OC)c3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)n1 |r|
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TBA

Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


Citation and Details

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


(Homo sapiens (Human))
BDBM404666
PNG
(US10344025, Example 5 | US11370786, Example 5)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCn2cc(nn2)C(=O)NCc2ccccc2)nn1
Show InChI InChI=1S/C26H27N7O2/c34-25(17-20-9-3-1-4-10-20)28-24-15-14-22(29-31-24)13-7-8-16-33-19-23(30-32-33)26(35)27-18-21-11-5-2-6-12-21/h1-6,9-12,14-15,19H,7-8,13,16-18H2,(H,27,35)(H,28,31,34)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405185
PNG
(N-(pyridin-2-ylmethyl)-1-[4-(6-{2-[3- (trifluorome...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)nn2)c1
Show InChI InChI=1S/C26H25F3N8O3/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405183
PNG
(N-(cyanomethyl)-1-[4-(6-{2-[3- (trifluoromethoxy)p...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCn3cc(nn3)C(=O)NCC#N)nn2)c1
Show InChI InChI=1S/C22H21F3N8O3/c23-22(24,25)36-17-6-3-4-15(12-17)13-20(34)28-19-8-7-16(29-31-19)5-1-2-11-33-14-18(30-32-33)21(35)27-10-9-26/h3-4,6-8,12,14H,1-2,5,10-11,13H2,(H,27,35)(H,28,31,34)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Mus musculus (Mouse))
BDBM50560791
PNG
(CHEMBL4740157)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
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KEGG

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Assay Description
Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay


Citation and Details

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


(Homo sapiens (Human))
BDBM50548670
PNG
(CHEMBL4741924)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r|
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Inhibition of GLS1 in human A549 cells assessed as reduction in conversion of glutamine to glutamate measured after 24 hrs


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50560812
PNG
(CHEMBL4748740)
Show SMILES COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
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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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50560810
PNG
(CHEMBL4798920)
Show SMILES Nc1nccc(COc2cc(OC(F)(F)F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
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Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM50560795
PNG
(CHEMBL4788832)
Show SMILES COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
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Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


Citation and Details

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


(Homo sapiens (Human))
BDBM404924
PNG
((R)-1-(2-fluoro-4-(6-(2-(6-methyl-4- (trifluoromet...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(cc(C)n3)C(F)(F)F)nn2)nn1 |r|
Show InChI InChI=1S/C21H22F4N8O2/c1-12-7-13(21(23,24)25)8-16(27-12)9-19(34)28-18-6-5-15(29-31-18)4-3-14(22)10-33-11-17(30-32-33)20(35)26-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,35)(H,28,31,34)/t14-/m1/s1
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50548671
PNG
(CHEMBL4797071)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405207
PNG
(N-(2-methoxyethyl)-1-[4-(6-{2-[3- (trifluoromethox...)
Show SMILES COCCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1
Show InChI InChI=1S/C23H26F3N7O4/c1-36-12-10-27-22(35)19-15-33(32-30-19)11-3-2-6-17-8-9-20(31-29-17)28-21(34)14-16-5-4-7-18(13-16)37-23(24,25)26/h4-5,7-9,13,15H,2-3,6,10-12,14H2,1H3,(H,27,35)(H,28,31,34)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404928
PNG
((R)-1-(4-(6-(2-(4-(3,3- difluorocyclobutoxy)pyridi...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1 |r|
Show InChI InChI=1S/C23H25F3N8O3/c1-27-22(36)19-13-34(33-31-19)12-14(24)2-3-15-4-5-20(32-30-15)29-21(35)9-16-8-17(6-7-28-16)37-18-10-23(25,26)11-18/h4-8,13-14,18H,2-3,9-12H2,1H3,(H,27,36)(H,29,32,35)/t14-/m1/s1
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50400050
PNG
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Mus musculus (Mouse))
BDBM50560800
PNG
(CHEMBL4779197)
Show SMILES COc1cc(OCc2ccnc(Nc3cnoc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
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KEGG

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Assay Description
Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay


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))
BDBM50560796
PNG
(CHEMBL4764974)
Show SMILES Clc1cnccc1COc1ccc2nc(NC3CCCCC3)sc2c1
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Assay Description
Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by ...


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))
BDBM32362
PNG
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
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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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50548670
PNG
(CHEMBL4741924)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r|
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404813
PNG
(N-methyl-1-[4-(6-{2-[3- (trifluoromethoxy)phenyl]a...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1
Show InChI InChI=1S/C21H22F3N7O3/c1-25-20(33)17-13-31(30-28-17)10-3-2-6-15-8-9-18(29-27-15)26-19(32)12-14-5-4-7-16(11-14)34-21(22,23)24/h4-5,7-9,11,13H,2-3,6,10,12H2,1H3,(H,25,33)(H,26,29,32)
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404910
PNG
((R)-1-(2-fluoro-4-(6-(2-(pyridin-2- yl)acetamido)p...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1 |r|
Show InChI InChI=1S/C19H21FN8O2/c1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t13-/m1/s1
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404866
PNG
(N-methyl-1-(4-(6-(2-(4- (trifluoromethyl)pyridin-2...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1
Show InChI InChI=1S/C20H21F3N8O2/c1-24-19(33)16-12-31(30-28-16)9-3-2-4-14-5-6-17(29-27-14)26-18(32)11-15-10-13(7-8-25-15)20(21,22)23/h5-8,10,12H,2-4,9,11H2,1H3,(H,24,33)(H,26,29,32)
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Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404915
PNG
((R)-1-(2-fluoro-4-(6-(2-(4- (trifluoromethyl)pyrid...)
Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1 |r|
Show InChI InChI=1S/C20H20F4N8O2/c1-25-19(34)16-11-32(31-29-16)10-13(21)2-3-14-4-5-17(30-28-14)27-18(33)9-15-8-12(6-7-26-15)20(22,23)24/h4-8,11,13H,2-3,9-10H2,1H3,(H,25,34)(H,27,30,33)/t13-/m1/s1
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Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM404917
PNG
(1-(4-(6-(2-(4-(3,3- difluorocyclobutoxy)pyridin-2-...)
Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1
Show InChI InChI=1S/C23H26F2N8O3/c1-26-22(35)19-14-33(32-30-19)9-3-2-4-15-5-6-20(31-29-15)28-21(34)11-16-10-17(7-8-27-16)36-18-12-23(24,25)13-18/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,35)(H,28,31,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01398
BindingDB Entry DOI: 10.7270/Q25D8WGC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Mus musculus (Mouse))
BDBM50560797
PNG
(CHEMBL4763289)
Show SMILES COc1cc(OCc2ccnc(Nc3cn(C)nn3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay


Citation and Details

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