new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'ullrich' and Initial = 'a'   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010383
PNG
(CHEMBL3263959)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H39FN6O5/c1-24-34(36(45)43(41(24)3)26-9-6-5-7-10-26)35(44)39-25-11-12-31(28(37)21-25)48-30-13-14-38-29-23-33(32(46-4)22-27(29)30)47-20-8-15-42-18-16-40(2)17-19-42/h5-7,9-14,21-23H,8,15-20H2,1-4H3,(H,39,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010382
PNG
(CHEMBL3263958)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H36FN5O6/c1-23-33(35(43)41(39(23)2)25-8-5-4-6-9-25)34(42)38-24-10-11-30(27(36)20-24)47-29-12-13-37-28-22-32(31(44-3)21-26(28)29)46-17-7-14-40-15-18-45-19-16-40/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15978
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
PubMed
n/an/a 9n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1alpha1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (Human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15993
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1alpha1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15997
PNG
(2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1alpha1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50010383
PNG
(CHEMBL3263959)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H39FN6O5/c1-24-34(36(45)43(41(24)3)26-9-6-5-7-10-26)35(44)39-25-11-12-31(28(37)21-25)48-30-13-14-38-29-23-33(32(46-4)22-27(29)30)47-20-8-15-42-18-16-40(2)17-19-42/h5-7,9-14,21-23H,8,15-20H2,1-4H3,(H,39,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15993
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15997
PNG
(2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...)
Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010386
PNG
(CHEMBL3263962)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H37FN6O5S/c1-39-13-15-41(16-14-39)12-5-17-45-34-21-30-28(20-33(34)44-3)31(10-11-36-30)46-32-9-8-26(19-29(32)35)38-47(42,43)27-7-4-6-24(18-27)25-22-37-40(2)23-25/h4,6-11,18-23,38H,5,12-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010388
PNG
(CHEMBL3263964)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-13-15-39(16-14-38)12-4-17-43-34-22-30-28(21-33(34)42-2)31(9-11-36-30)44-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-45-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 127n/an/an/an/a8.030



University of Copenhagen



Assay Description
To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and...


Protein Sci 13: 1031-42 (2004)


Article DOI: 10.1110/ps.03533004
BindingDB Entry DOI: 10.7270/Q2FB5163
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010387
PNG
(CHEMBL3263963)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O6S/c1-38-13-15-39(16-14-38)12-4-17-44-34-22-30-28(21-33(34)42-2)31(9-11-36-30)45-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-43-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15978
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
PubMed
n/an/a 170n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (Human))
BDBM50010382
PNG
(CHEMBL3263958)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H36FN5O6/c1-23-33(35(43)41(39(23)2)25-8-5-4-6-9-25)34(42)38-24-10-11-30(27(36)20-24)47-29-12-13-37-28-22-32(31(44-3)21-26(28)29)46-17-7-14-40-15-18-45-19-16-40/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 367n/an/an/an/a8.030



University of Copenhagen



Assay Description
To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and...


Protein Sci 13: 1031-42 (2004)


Article DOI: 10.1110/ps.03533004
BindingDB Entry DOI: 10.7270/Q2FB5163
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010388
PNG
(CHEMBL3263964)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-13-15-39(16-14-38)12-4-17-43-34-22-30-28(21-33(34)42-2)31(9-11-36-30)44-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-45-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010386
PNG
(CHEMBL3263962)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H37FN6O5S/c1-39-13-15-41(16-14-39)12-5-17-45-34-21-30-28(20-33(34)44-3)31(10-11-36-30)46-32-9-8-26(19-29(32)35)38-47(42,43)27-7-4-6-24(18-27)25-22-37-40(2)23-25/h4,6-11,18-23,38H,5,12-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 564n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010389
PNG
(CHEMBL3263965)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H34F2N4O5S2/c1-39-12-14-40(15-13-39)11-3-16-44-33-21-29-26(20-32(33)43-2)30(8-10-37-29)45-31-7-5-25(19-28(31)36)38-47(41,42)34-18-23(4-6-27(34)35)24-9-17-46-22-24/h4-10,17-22,38H,3,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 572n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134593
PNG
(CHEMBL3747699)
Show SMILES Cn1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C20H21F2N5O4S/c1-26-18-12(9-17(19(26)28)31-16-4-3-13(21)10-15(16)22)11-23-20(25-18)24-14-5-7-27(8-6-14)32(2,29)30/h3-4,9-11,14H,5-8H2,1-2H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 650n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM16301
PNG
(3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,2,4-...)
Show SMILES Clc1ccc(cc1)C1CCC(CC1)C1C(=O)C(=O)c2ccccc2C1=O |(22.89,-15.28,;24.23,-14.51,;25.56,-15.28,;26.9,-14.51,;26.9,-12.97,;25.56,-12.2,;24.23,-12.97,;28.23,-12.2,;29.56,-12.97,;30.9,-12.2,;30.9,-10.66,;29.56,-9.89,;28.23,-10.66,;32.23,-9.89,;32.23,-8.35,;30.9,-7.58,;33.56,-7.58,;33.56,-6.04,;34.9,-8.35,;36.27,-7.53,;37.67,-8.32,;37.67,-9.92,;36.27,-10.71,;34.9,-9.89,;33.56,-10.66,;33.56,-12.2,)|
Show InChI InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,19H,5-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 698n/an/an/an/a8.030



University of Copenhagen



Assay Description
To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and...


Protein Sci 13: 1031-42 (2004)


Article DOI: 10.1110/ps.03533004
BindingDB Entry DOI: 10.7270/Q2FB5163
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM16301
PNG
(3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,2,4-...)
Show SMILES Clc1ccc(cc1)C1CCC(CC1)C1C(=O)C(=O)c2ccccc2C1=O |(22.89,-15.28,;24.23,-14.51,;25.56,-15.28,;26.9,-14.51,;26.9,-12.97,;25.56,-12.2,;24.23,-12.97,;28.23,-12.2,;29.56,-12.97,;30.9,-12.2,;30.9,-10.66,;29.56,-9.89,;28.23,-10.66,;32.23,-9.89,;32.23,-8.35,;30.9,-7.58,;33.56,-7.58,;33.56,-6.04,;34.9,-8.35,;36.27,-7.53,;37.67,-8.32,;37.67,-9.92,;36.27,-10.71,;34.9,-9.89,;33.56,-10.66,;33.56,-12.2,)|
Show InChI InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,19H,5-8H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 904n/an/an/an/a8.030



University of Copenhagen



Assay Description
To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and...


Protein Sci 13: 1031-42 (2004)


Article DOI: 10.1110/ps.03533004
BindingDB Entry DOI: 10.7270/Q2FB5163
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134602
PNG
(CHEMBL3747489)
Show SMILES Cn1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C19H20F2N6O4S/c1-26-17-11(8-16(18(26)28)31-15-3-2-12(20)9-14(15)21)10-23-19(25-17)24-13-4-6-27(7-5-13)32(22,29)30/h2-3,8-10,13H,4-7H2,1H3,(H2,22,29,30)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 910n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010384
PNG
(CHEMBL3263960)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H32FN3O7S/c1-40-32-20-27-29(21-33(32)43-14-3-11-37-12-16-41-17-13-37)35-10-8-30(27)44-31-7-6-25(19-28(31)34)36-45(38,39)26-5-2-4-23(18-26)24-9-15-42-22-24/h2,4-10,15,18-22,36H,3,11-14,16-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 978n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010387
PNG
(CHEMBL3263963)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O6S/c1-38-13-15-39(16-14-38)12-4-17-44-34-22-30-28(21-33(34)42-2)31(9-11-36-30)45-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-43-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010392
PNG
(CHEMBL3263968)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cccs4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-14-16-39(17-15-38)13-5-18-43-33-23-29-27(22-32(33)42-2)30(11-12-36-29)44-31-10-9-25(21-28(31)35)37-46(40,41)26-7-3-6-24(20-26)34-8-4-19-45-34/h3-4,6-12,19-23,37H,5,13-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010391
PNG
(CHEMBL3263967)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-14-16-39(17-15-38)13-3-18-43-34-22-30-28(21-33(34)42-2)31(10-12-36-30)44-32-9-6-26(20-29(32)35)37-46(40,41)27-7-4-24(5-8-27)25-11-19-45-23-25/h4-12,19-23,37H,3,13-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010390
PNG
(CHEMBL3263966)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H37FN6O5S/c1-39-14-16-41(17-15-39)13-4-18-45-34-21-30-28(20-33(34)44-3)31(11-12-36-30)46-32-10-7-26(19-29(32)35)38-47(42,43)27-8-5-24(6-9-27)25-22-37-40(2)23-25/h5-12,19-23,38H,4,13-18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010385
PNG
(CHEMBL3263961)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H34FN5O6S/c1-38-22-24(21-36-38)23-5-3-6-26(17-23)46(40,41)37-25-7-8-31(28(34)18-25)45-30-9-10-35-29-20-33(32(42-2)19-27(29)30)44-14-4-11-39-12-15-43-16-13-39/h3,5-10,17-22,37H,4,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010389
PNG
(CHEMBL3263965)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H34F2N4O5S2/c1-39-12-14-40(15-13-39)11-3-16-44-33-21-29-26(20-32(33)43-2)30(8-10-37-29)45-31-7-5-25(19-28(31)36)38-47(41,42)34-18-23(4-6-27(34)35)24-9-17-46-22-24/h4-10,17-22,38H,3,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010385
PNG
(CHEMBL3263961)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H34FN5O6S/c1-38-22-24(21-36-38)23-5-3-6-26(17-23)46(40,41)37-25-7-8-31(28(34)18-25)45-30-9-10-35-29-20-33(32(42-2)19-27(29)30)44-14-4-11-39-12-15-43-16-13-39/h3,5-10,17-22,37H,4,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010393
PNG
(CHEMBL3263969)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccco4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O6S/c1-38-14-16-39(17-15-38)13-5-19-44-34-23-29-27(22-33(34)42-2)31(11-12-36-29)45-32-10-9-25(21-28(32)35)37-46(40,41)26-7-3-6-24(20-26)30-8-4-18-43-30/h3-4,6-12,18,20-23,37H,5,13-17,19H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134606
PNG
(CHEMBL3747351)
Show SMILES Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C19H18Cl2N4O3/c1-25-17-11(10-22-19(24-17)23-12-5-7-27-8-6-12)9-15(18(25)26)28-16-13(20)3-2-4-14(16)21/h2-4,9-10,12H,5-8H2,1H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.48E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010391
PNG
(CHEMBL3263967)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-14-16-39(17-15-38)13-3-18-43-34-22-30-28(21-33(34)42-2)31(10-12-36-30)44-32-9-6-26(20-29(32)35)37-46(40,41)27-7-4-24(5-8-27)25-11-19-45-23-25/h4-12,19-23,37H,3,13-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010393
PNG
(CHEMBL3263969)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccco4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O6S/c1-38-14-16-39(17-15-38)13-5-19-44-34-23-29-27(22-33(34)42-2)31(11-12-36-29)45-32-10-9-25(21-28(32)35)37-46(40,41)26-7-3-6-24(20-26)30-8-4-18-43-30/h3-4,6-12,18,20-23,37H,5,13-17,19H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010392
PNG
(CHEMBL3263968)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cccs4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-14-16-39(17-15-38)13-5-18-43-33-23-29-27(22-32(33)42-2)30(11-12-36-29)44-31-10-9-25(21-28(31)35)37-46(40,41)26-7-3-6-24(20-26)34-8-4-19-45-34/h3-4,6-12,19-23,37H,5,13-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134592
PNG
(CHEMBL3746673)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
Show InChI InChI=1S/C22H23F2N5O4/c1-3-32-22(31)29-8-6-15(7-9-29)26-21-25-12-13-10-18(20(30)28(2)19(13)27-21)33-17-5-4-14(23)11-16(17)24/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134601
PNG
(CHEMBL3746889)
Show SMILES Cn1c2nc(NCCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C18H19F2N5O4S/c1-25-16-11(10-22-18(24-16)21-6-3-7-23-30(2,27)28)8-15(17(25)26)29-14-5-4-12(19)9-13(14)20/h4-5,8-10,23H,3,6-7H2,1-2H3,(H,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.77E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50010388
PNG
(CHEMBL3263964)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O5S2/c1-38-13-15-39(16-14-38)12-4-17-43-34-22-30-28(21-33(34)42-2)31(9-11-36-30)44-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-45-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134603
PNG
(CHEMBL3745734)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)cc1
Show InChI InChI=1S/C25H24F2N6O2/c1-31-9-11-33(12-10-31)19-6-4-18(5-7-19)29-25-28-15-16-13-22(24(34)32(2)23(16)30-25)35-21-8-3-17(26)14-20(21)27/h3-8,13-15H,9-12H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.34E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134596
PNG
(CHEMBL3746959)
Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCC(O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C25H23F2N5O3/c1-31-23-15(12-22(24(31)34)35-21-7-2-16(26)13-20(21)27)14-28-25(30-23)29-17-3-5-18(6-4-17)32-10-8-19(33)9-11-32/h2-7,12-14,19,33H,8-11H2,1H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.79E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010384
PNG
(CHEMBL3263960)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H32FN3O7S/c1-40-32-20-27-29(21-33(32)43-14-3-11-37-12-16-41-17-13-37)35-10-8-30(27)44-31-7-6-25(19-28(31)34)36-45(38,39)26-5-2-4-23(18-26)24-9-15-42-22-24/h2,4-10,15,18-22,36H,3,11-14,16-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.86E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50341372
PNG
(6-(2,4-Difluorophenoxy)-2-isopropylamino-8-methyl-...)
Show SMILES CC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
Show InChI InChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 4.22E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010390
PNG
(CHEMBL3263966)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H37FN6O5S/c1-39-14-16-41(17-15-39)13-4-18-45-34-21-30-28(20-33(34)44-3)31(11-12-36-30)46-32-10-7-26(19-29(32)35)38-47(42,43)27-8-5-24(6-9-27)25-22-37-40(2)23-25/h5-12,19-23,38H,4,13-18H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 4.35E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50010387
PNG
(CHEMBL3263963)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35FN4O6S/c1-38-13-15-39(16-14-38)12-4-17-44-34-22-30-28(21-33(34)42-2)31(9-11-36-30)45-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-43-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.23E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50314070
PNG
(6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxy...)
Show SMILES Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 5.42E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134595
PNG
(CHEMBL3746969)
Show SMILES Cn1c2nc(NC3CCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-25-17-11(10-22-19(24-17)23-13-4-2-3-5-13)8-16(18(25)26)27-15-7-6-12(20)9-14(15)21/h6-10,13H,2-5H2,1H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.93E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50134600
PNG
(CHEMBL3745925)
Show SMILES Cn1c2nc(NC3CCCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C21H22F2N4O2/c1-27-19-13(12-24-21(26-19)25-15-6-4-2-3-5-7-15)10-18(20(27)28)29-17-9-8-14(22)11-16(17)23/h8-12,15H,2-7H2,1H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.73E+3n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 26: 424-8 (2016)


BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 115 total )  |  Next  |  Last  >>
Jump to: