BindingDB logo
myBDB logout

PubMed code 27527804

Compile data set for download or QSAR
Found 109 hits of Enzyme Inhibition Constant Data   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193812
PNG
(CHEMBL3908493)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193823
PNG
(CHEMBL3934268)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193807
PNG
(CHEMBL3961771)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193813
PNG
(CHEMBL3934099)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193807
PNG
(CHEMBL3961771)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193823
PNG
(CHEMBL3934268)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193809
PNG
(CHEMBL3890564)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193809
PNG
(CHEMBL3890564)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193818
PNG
(CHEMBL3925372)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193824
PNG
(CHEMBL3961598)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193817
PNG
(CHEMBL3918616)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193824
PNG
(CHEMBL3961598)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193822
PNG
(CHEMBL3972807)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193818
PNG
(CHEMBL3925372)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193815
PNG
(CHEMBL3943236)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193813
PNG
(CHEMBL3934099)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193816
PNG
(CHEMBL3951972)
Show SMILES COCCNC1CCCc2c(C1)ccc(Nc1ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n1)c2OC
Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193819
PNG
(CHEMBL3945332)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193825
PNG
(CHEMBL3953048)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193825
PNG
(CHEMBL3953048)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193813
PNG
(CHEMBL3934099)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193822
PNG
(CHEMBL3972807)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193823
PNG
(CHEMBL3934268)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193821
PNG
(CHEMBL3917455)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCCC(Cc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-14-19(35-9-11-38-12-10-35)4-2-3-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193807
PNG
(CHEMBL3961771)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193809
PNG
(CHEMBL3890564)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193817
PNG
(CHEMBL3918616)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193820
PNG
(CHEMBL3943066)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193820
PNG
(CHEMBL3943066)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193815
PNG
(CHEMBL3943236)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193824
PNG
(CHEMBL3961598)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193818
PNG
(CHEMBL3925372)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193817
PNG
(CHEMBL3918616)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H3122 cells


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193812
PNG
(CHEMBL3908493)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193809
PNG
(CHEMBL3890564)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193818
PNG
(CHEMBL3925372)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H2228 cells


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193817
PNG
(CHEMBL3918616)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 382n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193822
PNG
(CHEMBL3972807)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 403n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193815
PNG
(CHEMBL3943236)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 435n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 508n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 662n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193824
PNG
(CHEMBL3961598)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 722n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193823
PNG
(CHEMBL3934268)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193813
PNG
(CHEMBL3934099)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 814n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193820
PNG
(CHEMBL3943066)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 915n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 944n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193819
PNG
(CHEMBL3945332)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 994n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193816
PNG
(CHEMBL3951972)
Show SMILES COCCNC1CCCc2c(C1)ccc(Nc1ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n1)c2OC
Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193807
PNG
(CHEMBL3961771)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin) by cell based assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193825
PNG
(CHEMBL3953048)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193818
PNG
(CHEMBL3925372)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193813
PNG
(CHEMBL3934099)
Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.60E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin) by cell based assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50193821
PNG
(CHEMBL3917455)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCCC(Cc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-14-19(35-9-11-38-12-10-35)4-2-3-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193822
PNG
(CHEMBL3972807)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50193814
PNG
(CHEMBL3980825)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50193808
PNG
(CHEMBL3936443)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@H](CCCc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50193815
PNG
(CHEMBL3943236)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2C[C@@H](CCCc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50193811
PNG
(CHEMBL3951811)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30n/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Binding affinity to human ALK (1088 to 1409 residues) expressed in mammalian system by KINOMEscan assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%