BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2770 hits with Last Name = 'emmitte' and Initial = 'ka'   
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
Insulin receptor


(Homo sapiens (Human))		BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))		BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents
Article
PubMed
 4.40n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 4.70n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5

Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50442525
PNG
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.80n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)

Bioorg Med Chem Lett 23: 5779-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.001
BindingDB Entry DOI: 10.7270/Q2X92CSQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 37n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 24: 3307-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.003
BindingDB Entry DOI: 10.7270/Q2ZW1NJP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50323286
PNG
(3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting

Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50323308
PNG
(3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 102n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting

Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 116n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5

Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 157n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting

Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50323289
PNG
(CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 206n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting

Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257064
PNG
(CHEMBL2386850)
Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents
Article
PubMed
 240n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 249n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5

Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257087
PNG
(CHEMBL4102569)
Show SMILES Cc1cccnc1C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-11-15-14(12)10-9-13-7-3-2-4-8-13/h2-8,11H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 388n/an/an/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50311858
PNG
(CHEMBL1076333 | N-(3-bromophenyl)-6-fluoroquinazol...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 736n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5

Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.710n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from recombinant human DAT expressed in CHOK1 cells after 3 hrs by scintillation counting method

Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28206
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy...)
Show SMILES COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|
Show InChI InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 0.800n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28208
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-...)
Show SMILES COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256469
PNG
((S)-N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethyl...)
Show SMILES CN(C)C[C@H](O)COc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1 |r|
Show InChI InChI=1S/C35H31F2N7O3/c1-43(2)20-25(45)21-47-26-11-6-10-24(19-26)39-35-38-16-15-29(40-35)33-31(41-30-14-3-4-17-44(30)33)22-8-5-9-23(18-22)34(46)42-32-27(36)12-7-13-28(32)37/h3-19,25,45H,20-21H2,1-2H3,(H,42,46)(H,38,39,40)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256467
PNG
(CHEMBL448668 | N-(2,6-difluorophenyl)-3-(3-(2-(3-(...)
Show SMILES CN(C)CCOc1cccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c1
Show InChI InChI=1S/C34H29F2N7O2/c1-42(2)18-19-45-25-11-6-10-24(21-25)38-34-37-16-15-28(39-34)32-30(40-29-14-3-4-17-43(29)32)22-8-5-9-23(20-22)33(44)41-31-26(35)12-7-13-27(31)36/h3-17,20-21H,18-19H2,1-2H3,(H,41,44)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28210
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-d...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H22ClN3O5S/c1-13(16-4-2-3-5-17(16)24)32-20-9-21(33-22(20)23(25)30)27-12-26-18-7-6-15(8-19(18)27)31-11-14(29)10-28/h2-9,12-14,28-29H,10-11H2,1H3,(H2,25,30)/t13-,14+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256410
PNG
(CHEMBL447668 | N-(2,6-difluorophenyl)-3-(3-(2-(3-(...)
Show SMILES CN(C)CCCc1ccc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C35H31F2N7O/c1-43(2)20-7-8-23-14-16-26(17-15-23)39-35-38-19-18-29(40-35)33-31(41-30-13-3-4-21-44(30)33)24-9-5-10-25(22-24)34(45)42-32-27(36)11-6-12-28(32)37/h3-6,9-19,21-22H,7-8,20H2,1-2H3,(H,42,45)(H,38,39,40)
PDB
MMDB

Reactome pathway
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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28175
PNG
(5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifl...)
Show SMILES COc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C21H16F3N3O3S/c1-29-13-6-7-15-16(8-13)27(11-26-15)18-9-17(19(31-18)20(25)28)30-10-12-4-2-3-5-14(12)21(22,23)24/h2-9,11H,10H2,1H3,(H2,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM25120
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(t...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28177
PNG
(3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18BrN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28178
PNG
(3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28194
PNG
(3-[(3-chlorothiophen-2-yl)methoxy]-5-(5,6-dimethox...)
Show SMILES COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C19H16ClN3O4S2/c1-25-13-5-11-12(6-14(13)26-2)23(9-22-11)17-7-15(18(29-17)19(21)24)27-8-16-10(20)3-4-28-16/h3-7,9H,8H2,1-2H3,(H2,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28200
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(t...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(O)=O)c2cc1OC
Show InChI InChI=1S/C22H17F3N2O5S/c1-30-16-7-14-15(8-17(16)31-2)27(11-26-14)19-9-18(20(33-19)21(28)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1018-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.041
BindingDB Entry DOI: 10.7270/Q26T0JZX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28178
PNG
(3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256472
PNG
(CHEMBL502652 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C40H38F2N8O3/c1-52-34-25-29(48-18-14-28(15-19-48)49-20-22-53-23-21-49)11-12-32(34)44-40-43-16-13-33(45-40)38-36(46-35-10-2-3-17-50(35)38)26-6-4-7-27(24-26)39(51)47-37-30(41)8-5-9-31(37)42/h2-13,16-17,24-25,28H,14-15,18-23H2,1H3,(H,47,51)(H,43,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256473
PNG
(CHEMBL502198 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C40H38F2N8O2/c1-52-34-25-29(49-22-16-28(17-23-49)48-19-4-5-20-48)13-14-32(34)44-40-43-18-15-33(45-40)38-36(46-35-12-2-3-21-50(35)38)26-8-6-9-27(24-26)39(51)47-37-30(41)10-7-11-31(37)42/h2-3,6-15,18,21,24-25,28H,4-5,16-17,19-20,22-23H2,1H3,(H,47,51)(H,43,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256474
PNG
((R)-N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-(3-fluoro...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C40H37F3N8O2/c1-53-34-23-29(49-20-15-28(16-21-49)50-19-14-27(41)24-50)11-12-32(34)45-40-44-17-13-33(46-40)38-36(47-35-10-2-3-18-51(35)38)25-6-4-7-26(22-25)39(52)48-37-30(42)8-5-9-31(37)43/h2-13,17-18,22-23,27-28H,14-16,19-21,24H2,1H3,(H,48,52)(H,44,45,46)/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256475
PNG
(CHEMBL449110 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C41H41F2N9O2/c1-49-21-23-51(24-22-49)29-15-19-50(20-16-29)30-12-13-33(35(26-30)54-2)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256470
PNG
(3-(3-(2-(4-(1,4'-bipiperidin-1'-yl)phenylamino)pyr...)
Show SMILES Fc1cccc(F)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)n1
Show InChI InChI=1S/C40H38F2N8O/c41-32-10-7-11-33(42)37(32)47-39(51)28-9-6-8-27(26-28)36-38(50-23-5-2-12-35(50)46-36)34-17-20-43-40(45-34)44-29-13-15-30(16-14-29)49-24-18-31(19-25-49)48-21-3-1-4-22-48/h2,5-17,20,23,26,31H,1,3-4,18-19,21-22,24-25H2,(H,47,51)(H,43,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256471
PNG
(3-(3-(2-(4-(1,4'-bipiperidin-1'-yl)-2-methoxypheny...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C41H40F2N8O2/c1-53-35-26-30(50-23-17-29(18-24-50)49-20-4-2-5-21-49)14-15-33(35)45-41-44-19-16-34(46-41)39-37(47-36-13-3-6-22-51(36)39)27-9-7-10-28(25-27)40(52)48-38-31(42)11-8-12-32(38)43/h3,6-16,19,22,25-26,29H,2,4-5,17-18,20-21,23-24H2,1H3,(H,48,52)(H,44,45,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28217
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylp...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28209
PNG
(5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-[(1R)-1-[2...)
Show SMILES COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 |r|
Show InChI InChI=1S/C22H18F3N3O3S/c1-12(14-5-3-4-6-15(14)22(23,24)25)31-18-10-19(32-20(18)21(26)29)28-11-27-16-8-7-13(30-2)9-17(16)28/h3-12H,1-2H3,(H2,26,29)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28212
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2-hyd...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CN3CCCC3)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H29ClN4O4S/c1-17(20-6-2-3-7-21(20)28)36-24-13-25(37-26(24)27(29)34)32-16-30-22-9-8-19(12-23(22)32)35-15-18(33)14-31-10-4-5-11-31/h2-3,6-9,12-13,16-18,33H,4-5,10-11,14-15H2,1H3,(H2,29,34)/t17-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28215
PNG
(5-[6-(piperidin-4-yloxy)-1H-1,3-benzodiazol-1-yl]-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCNCC3)cc12)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(18-4-2-3-5-19(18)26(27,28)29)35-22-13-23(37-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)36-16-8-10-31-11-9-16/h2-7,12-16,31H,8-11H2,1H3,(H2,30,34)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 3n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28218
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4S)-1-me...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H29ClN4O3S/c1-17(20-7-3-4-8-21(20)28)34-24-15-25(36-26(24)27(29)33)32-16-30-22-10-9-19(14-23(22)32)35-18-6-5-12-31(2)13-11-18/h3-4,7-10,14-18H,5-6,11-13H2,1-2H3,(H2,29,33)/t17-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50256477
PNG
(3-(3-(2-(4-(4-(4-acetylpiperazin-1-yl)piperidin-1-...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C42H41F2N9O3/c1-27(54)50-21-23-52(24-22-50)30-15-19-51(20-16-30)31-12-13-34(36(26-31)56-2)46-42-45-17-14-35(47-42)40-38(48-37-11-3-4-18-53(37)40)28-7-5-8-29(25-28)41(55)49-39-32(43)9-6-10-33(39)44/h3-14,17-18,25-26,30H,15-16,19-24H2,1-2H3,(H,49,55)(H,45,46,47)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay

Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257058
PNG
(CHEMBL2386849)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257058
PNG
(CHEMBL2386849)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-4-13(25-14-5-12(19)7-20-9-14)6-15(22-10)17(24)23-16-3-2-11(18)8-21-16/h2-9H,1H3,(H,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257041
PNG
(CHEMBL4077672)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50257041
PNG
(CHEMBL4077672)
Show SMILES Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Show InChI InChI=1S/C17H12F2N4O2/c1-10-5-12(25-13-6-11(18)8-20-9-13)7-14(21-10)17(24)23-16-4-2-3-15(19)22-16/h2-9H,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...

J Med Chem 60: 5072-5085 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00410
BindingDB Entry DOI: 10.7270/Q2JH3PM7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28211
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[3-(dimethy...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCCCN(C)C)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3S/c1-16(18-7-4-5-8-19(18)26)33-22-14-23(34-24(22)25(27)31)30-15-28-20-10-9-17(13-21(20)30)32-12-6-11-29(2)3/h4-5,7-10,13-16H,6,11-12H2,1-3H3,(H2,27,31)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 4n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM28219
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-{[(4R)-1-me...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H29ClN4O3S/c1-17(20-7-3-4-8-21(20)28)34-24-15-25(36-26(24)27(29)33)32-16-30-22-10-9-19(14-23(22)32)35-18-6-5-12-31(2)13-11-18/h3-4,7-10,14-18H,5-6,11-13H2,1-2H3,(H2,29,33)/t17-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...

Bioorg Med Chem Lett 19: 1694-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.094
BindingDB Entry DOI: 10.7270/Q2319T6X
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2770 total )  |  Next  |  Last  >>
Jump to: