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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50015339   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM296429
PNG
(US10112942, Example 163 | US10112942, Example 166 ...)
Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3
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PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585629
PNG
(CHEMBL5087283)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCN(C)CC3)cc2)cc1
PDB
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KEGG

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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585635
PNG
(CHEMBL5074882)
Show SMILES C[C@H](NC(=O)Cc1ccc(Nc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1)c1ccccc1 |r|
PDB
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585640
PNG
(CHEMBL5080296)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NCc4cccc(F)c4)cc3)n2)N2CCN(CCO)CC2)[nH]n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585633
PNG
(CHEMBL5073804)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
PDB
MMDB

KEGG

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PC cid
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UniChem
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
PDB
MMDB

KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585631
PNG
(CHEMBL5078090)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccc(F)cc3)cc2)n1
PDB
MMDB

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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585644
PNG
(CHEMBL5094848)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585630
PNG
(CHEMBL5089911)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
PDB
MMDB

KEGG

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PC sid
UniChem
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n/an/a 7.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585641
PNG
(CHEMBL5093057)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)N2CCN(CCN3CCOCC3)CC2)[nH]n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585645
PNG
(CHEMBL5085579)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585637
PNG
(CHEMBL5094196)
Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585630
PNG
(CHEMBL5089911)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RET V804M mutant using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by Lin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585631
PNG
(CHEMBL5078090)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccc(F)cc3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RET V804M mutant using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by Lin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585628
PNG
(CHEMBL5089027)
Show SMILES CN(C)CCn1cc(cn1)-c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccccc3F)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585638
PNG
(CHEMBL5086966)
Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3ccc(OC)cc3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585642
PNG
(CHEMBL5079216)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCN(CCN4CCOCC4)CC3)cc2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585626
PNG
(CHEMBL5092920)
Show SMILES CN(C)CCn1cc(cn1)-c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
PDB
MMDB

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PDB
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RET V804M mutant using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by Lin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585639
PNG
(CHEMBL5075257)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)N2CCN(CCO)CC2)[nH]n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585643
PNG
(CHEMBL5087974)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(n[nH]4)C4CC4)cc(n3)N3CCN(C)CC3)cc2)cc1
PDB
MMDB

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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585627
PNG
(CHEMBL5081199)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)-c3cnn(CCN(C)C)c3)cc2)cc1
PDB
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PC sid
UniChem
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585634
PNG
(CHEMBL5084023)
Show SMILES C[C@@H](NC(=O)Cc1ccc(Nc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1)c1ccccc1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585636
PNG
(CHEMBL5078263)
Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccc(cc3)C(C)C)cc2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF-1R (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585624
PNG
(CHEMBL5078934)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 93n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
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n/an/a 96n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aurora A (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
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TBA

Assay Description
Inhibition of TRKA (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by micr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585617
PNG
(CHEMBL5081142)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)N2CCOCC2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585622
PNG
(CHEMBL5075735)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)-c3cnn(CCN4CCOCC4)c3)cc2)cc1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
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n/an/a 113n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by micr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585623
PNG
(CHEMBL5093178)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccc(C)c(F)c4)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585621
PNG
(CHEMBL5073056)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585616
PNG
(CHEMBL5083534)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)n2)N2CCOCC2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585646
PNG
(CHEMBL5071633)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(n[nH]4)C(C)(C)C)cc(n3)N3CCN(C)CC3)cc2)cc1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 152n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585615
PNG
(CHEMBL5083224)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCOCC3)cc2)cc1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585625
PNG
(CHEMBL5078777)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585647
PNG
(CHEMBL5074502)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C(C)(C)C)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585618
PNG
(CHEMBL5088213)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)-c2cnn(C)c2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585648
PNG
(CHEMBL5080275)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C(C)(C)C)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585620
PNG
(CHEMBL5078648)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)-c2cnn(C)c2)[nH]n1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50585619
PNG
(CHEMBL5083904)
Show SMILES CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)-c3cnn(C)c3)cc2)cc1
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TBA

Assay Description
Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAP4K4 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50585632
PNG
(CHEMBL5070593)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NEK2 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by micr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01280
BindingDB Entry DOI: 10.7270/Q24X5CPK
More data for this
Ligand-Target Pair