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Compile Data Set for Download or QSAR

Found 374 hits with Last Name = 'guzi' and Initial = 'tj'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598680
PNG
(CHEMBL5173517)
Show SMILES CC(C)c1cnc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598682
PNG
(CHEMBL5206444)
Show SMILES CC(C)c1ccc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598681
PNG
(CHEMBL5200991)
Show SMILES CC(C)c1cnc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598673
PNG
(CHEMBL5207390)
Show SMILES CC(C)c1cnc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598683
PNG
(CHEMBL5196495)
Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598668
PNG
(CHEMBL5195164)
Show SMILES CC(C)c1cnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598685
PNG
(CHEMBL5208737)
Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@](C)(O)[C@@H](F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598686
PNG
(BLU-945 | BLU945 | Blu-945)
Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598684
PNG
(CHEMBL5194722)
Show SMILES CC[C@]1(F)CN(CC[C@H]1O)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598675
PNG
(CHEMBL5185207)
Show SMILES CC(C)c1ccc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598686
PNG
(BLU-945 | BLU945 | Blu-945)
Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598687
PNG
(CHEMBL5193016)
Show SMILES CO[C@@H]1[C@H](O)CN(CC1(F)F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598686
PNG
(BLU-945 | BLU945 | Blu-945)
Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598679
PNG
(CHEMBL5170376)
Show SMILES CC(C)c1cnc(N2CC(C2)C(=O)N(C)C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598683
PNG
(CHEMBL5196495)
Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598678
PNG
(CHEMBL5187021)
Show SMILES CNC(=O)C1CN(C1)c1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)ncc12 |r|
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598686
PNG
(BLU-945 | BLU945 | Blu-945)
Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442690
PNG
(CHEMBL2442296)
Show SMILES NCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C18H17N5/c19-8-9-20-17-7-10-23-18(22-17)16(12-21-23)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,10-12H,8-9,19H2,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442685
PNG
(CHEMBL2442301)
Show SMILES CCN1CCCC1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C23H25N5/c1-2-27-12-5-8-20(27)15-24-22-11-13-28-23(26-22)21(16-25-28)19-10-9-17-6-3-4-7-18(17)14-19/h3-4,6-7,9-11,13-14,16,20H,2,5,8,12,15H2,1H3,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598681
PNG
(CHEMBL5200991)
Show SMILES CC(C)c1cnc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598684
PNG
(CHEMBL5194722)
Show SMILES CC[C@]1(F)CN(CC[C@H]1O)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598674
PNG
(CHEMBL5172587)
Show SMILES CC(C)c1ncc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442679
PNG
(CHEMBL2442302)
Show SMILES NCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1
Show InChI InChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598667
PNG
(CHEMBL5208679)
Show SMILES CC(C)c1cnc(N2CCC2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598671
PNG
(CHEMBL5182741)
Show SMILES CC(C)c1ncc(N2CC[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598687
PNG
(CHEMBL5193016)
Show SMILES CO[C@@H]1[C@H](O)CN(CC1(F)F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598682
PNG
(CHEMBL5206444)
Show SMILES CC(C)c1ccc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442692
PNG
(CHEMBL2442317)
Show SMILES N[C@@H]1CCCC[C@H]1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r|
Show InChI InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334853
PNG
(6-chloro-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Cl)c(nc12)C1CCCNC1
Show InChI InChI=1S/C15H18ClN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334854
PNG
(6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCCNC1
Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334855
PNG
(6-iodo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(I)c(nc12)C1CCCNC1
Show InChI InChI=1S/C15H18IN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50223567
PNG
(3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)p...)
Show SMILES Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C18H13BrClN5/c19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h1-9,11,22H,10H2
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n/an/a 3n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442693
PNG
(CHEMBL2442316)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r,wU:1.0,wD:4.7,(62.54,-18.45,;63.88,-17.68,;63.89,-16.14,;65.21,-15.38,;66.54,-16.16,;66.55,-17.69,;65.21,-18.46,;67.88,-15.39,;69.21,-16.16,;69.21,-17.7,;70.54,-18.47,;71.87,-17.7,;73.35,-18.18,;74.26,-16.93,;73.35,-15.67,;73.83,-14.21,;72.8,-13.07,;73.27,-11.61,;74.78,-11.28,;75.24,-9.82,;76.76,-9.51,;77.8,-10.65,;77.32,-12.12,;75.81,-12.43,;75.34,-13.89,;71.87,-16.15,;70.54,-15.39,)|
Show InChI InChI=1S/C22H23N5/c23-18-7-9-19(10-8-18)25-21-11-12-27-22(26-21)20(14-24-27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19H,7-10,23H2,(H,25,26)/t18-,19-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598686
PNG
(BLU-945 | BLU945 | Blu-945)
Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
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n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598676
PNG
(CHEMBL5205583)
Show SMILES COC1CN(C1)c1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598672
PNG
(CHEMBL5203267)
Show SMILES CC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598685
PNG
(CHEMBL5208737)
Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@](C)(O)[C@@H](F)C3)cc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442681
PNG
(CHEMBL2442290)
Show SMILES NCCNc1ccn2ncc(-c3cccc(c3)-c3ccco3)c2n1
Show InChI InChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50598680
PNG
(CHEMBL5173517)
Show SMILES CC(C)c1cnc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00704
BindingDB Entry DOI: 10.7270/Q2RJ4PHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442686
PNG
(CHEMBL2442300)
Show SMILES CN(C)CCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H21N5/c1-24(2)12-10-21-19-9-11-25-20(23-19)18(14-22-25)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334849
PNG
(CHEMBL1643236 | Syn-5-((3-aminocyclohexyl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(C[C@H]3CCC[C@@H](N)C3)nc12 |r|
Show InChI InChI=1S/C17H22BrN7/c1-24-9-11(7-21-24)13-8-22-25-16(20)15(18)14(23-17(13)25)6-10-3-2-4-12(19)5-10/h7-10,12H,2-6,19-20H2,1H3/t10-,12+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442687
PNG
(CHEMBL2442299)
Show SMILES NCCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C19H19N5/c20-9-3-10-21-18-8-11-24-19(23-18)17(13-22-24)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-8,11-13H,3,9-10,20H2,(H,21,23)
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM105239
PNG
(US8580782, 7)
Show SMILES Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C18H13BrClN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2
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US Patent
n/an/a 6n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334876
PNG
(6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(thiomorpho...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CNCCS1
Show InChI InChI=1S/C14H16BrN7S/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h4-5,7,10,17H,2-3,6,16H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442691
PNG
(CHEMBL2442295)
Show SMILES C1CN(CCN1)c1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H19N5/c1-2-4-16-13-17(6-5-15(16)3-1)18-14-22-25-10-7-19(23-20(18)25)24-11-8-21-9-12-24/h1-7,10,13-14,21H,8-9,11-12H2
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442698
PNG
(CHEMBL2442287)
Show SMILES CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1
Show InChI InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334847
PNG
(6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin...)
Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCNC3)nc12
Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-9-2-3-18-5-9/h6-9,18H,2-5,17H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 471-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.114
BindingDB Entry DOI: 10.7270/Q2P26ZC9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50442678
PNG
(CHEMBL2442303)
Show SMILES NCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1
Show InChI InChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
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