BindingDB logo
myBDB logout

PubMed code 21632243

Compile data set for download or QSAR
Found 48 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347070
PNG
(CHEMBL1796257)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347053
PNG
(CHEMBL1796254)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347057
PNG
(CHEMBL1796244)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C23H33ClN6O2S/c1-3-30-12-10-16-8-9-18(14-17(16)11-13-30)26-23-25-15-19(24)22(28-23)27-20-6-4-5-7-21(20)29-33(2,31)32/h8-9,14-15,20-21,29H,3-7,10-13H2,1-2H3,(H2,25,26,27,28)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347069
PNG
(CHEMBL1796253)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1
Show InChI InChI=1S/C24H33ClN6O/c1-3-31-12-10-17-8-9-19(14-18(17)11-13-31)28-24-26-15-20(25)23(30-24)29-22-7-5-4-6-21(22)27-16(2)32/h8-9,14-15,21-22H,3-7,10-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347058
PNG
(CHEMBL1796245)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-7-8-19(15-18(17)10-12-31)27-24-26-16-20(25)23(29-24)28-21-5-3-4-6-22(21)30-35(2,32)33/h7-8,15-16,21-22,30H,3-6,9-14H2,1-2H3,(H2,26,27,28,29)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347055
PNG
(CHEMBL1796242)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347070
PNG
(CHEMBL1796257)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347071
PNG
(CHEMBL1796258)
Show SMILES CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H41ClN6O4S/c1-5-34(39(4,35)36)24-9-7-6-8-22(24)30-26-21(28)18-29-27(32-26)31-23-16-19-10-12-33(14-15-37-2)13-11-20(19)17-25(23)38-3/h16-18,22,24H,5-15H2,1-4H3,(H2,29,30,31,32)/t22-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347062
PNG
(CHEMBL1796247)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H32ClF3N6O2/c1-37-13-12-35-10-8-16-6-7-18(14-17(16)9-11-35)31-24-30-15-19(26)22(34-24)32-20-4-2-3-5-21(20)33-23(36)25(27,28)29/h6-7,14-15,20-21H,2-5,8-13H2,1H3,(H,33,36)(H2,30,31,32,34)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347061
PNG
(CHEMBL1796246)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C24H30ClF3N6O/c1-2-34-11-9-15-7-8-17(13-16(15)10-12-34)30-23-29-14-18(25)21(33-23)31-19-5-3-4-6-20(19)32-22(35)24(26,27)28/h7-8,13-14,19-20H,2-6,9-12H2,1H3,(H,32,35)(H2,29,30,31,33)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347066
PNG
(CHEMBL1796251)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)CC(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H34ClF3N6O3S/c1-38-13-12-35-10-8-17-6-7-19(14-18(17)9-11-35)31-24-30-15-20(26)23(33-24)32-21-4-2-3-5-22(21)34-39(36,37)16-25(27,28)29/h6-7,14-15,21-22,34H,2-5,8-13,16H2,1H3,(H2,30,31,32,33)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347064
PNG
(CHEMBL1796249)
Show SMILES CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
Show InChI InChI=1S/C25H37ClN6O3S/c1-3-36(33,34)31-23-7-5-4-6-22(23)29-24-21(26)17-27-25(30-24)28-20-9-8-18-10-12-32(14-15-35-2)13-11-19(18)16-20/h8-9,16-17,22-23,31H,3-7,10-15H2,1-2H3,(H2,27,28,29,30)/t22-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347057
PNG
(CHEMBL1796244)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C23H33ClN6O2S/c1-3-30-12-10-16-8-9-18(14-17(16)11-13-30)26-23-25-15-19(24)22(28-23)27-20-6-4-5-7-21(20)29-33(2,31)32/h8-9,14-15,20-21,29H,3-7,10-13H2,1-2H3,(H2,25,26,27,28)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347055
PNG
(CHEMBL1796242)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347053
PNG
(CHEMBL1796254)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347069
PNG
(CHEMBL1796253)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1
Show InChI InChI=1S/C24H33ClN6O/c1-3-31-12-10-17-8-9-19(14-18(17)11-13-31)28-24-26-15-20(25)23(30-24)29-22-7-5-4-6-21(22)27-16(2)32/h8-9,14-15,21-22H,3-7,10-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347058
PNG
(CHEMBL1796245)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-7-8-19(15-18(17)10-12-31)27-24-26-16-20(25)23(29-24)28-21-5-3-4-6-22(21)30-35(2,32)33/h7-8,15-16,21-22,30H,3-6,9-14H2,1-2H3,(H2,26,27,28,29)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347060
PNG
(CHEMBL1796256)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4)n3)cc2CC1
Show InChI InChI=1S/C23H32ClN5O/c1-30-14-13-29-11-9-17-7-8-20(15-18(17)10-12-29)27-23-25-16-21(24)22(28-23)26-19-5-3-2-4-6-19/h7-8,15-16,19H,2-6,9-14H2,1H3,(H2,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347060
PNG
(CHEMBL1796256)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4)n3)cc2CC1
Show InChI InChI=1S/C23H32ClN5O/c1-30-14-13-29-11-9-17-7-8-20(15-18(17)10-12-29)27-23-25-16-21(24)22(28-23)26-19-5-3-2-4-6-19/h7-8,15-16,19H,2-6,9-14H2,1H3,(H2,25,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347072
PNG
(CHEMBL1796259)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@H]4CC[C@@H](CC4)NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-3-4-21(15-18(17)10-12-31)28-24-26-16-22(25)23(29-24)27-19-5-7-20(8-6-19)30-35(2,32)33/h3-4,15-16,19-20,30H,5-14H2,1-2H3,(H2,26,27,28,29)/t19-,20-
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347062
PNG
(CHEMBL1796247)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H32ClF3N6O2/c1-37-13-12-35-10-8-16-6-7-18(14-17(16)9-11-35)31-24-30-15-19(26)22(34-24)32-20-4-2-3-5-21(20)33-23(36)25(27,28)29/h6-7,14-15,20-21H,2-5,8-13H2,1H3,(H,33,36)(H2,30,31,32,34)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347067
PNG
(CHEMBL1796252)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C4CC4)n3)cc2CC1
Show InChI InChI=1S/C26H37ClN6O3S/c1-36-15-14-33-12-10-18-6-7-20(16-19(18)11-13-33)29-26-28-17-22(27)25(31-26)30-23-4-2-3-5-24(23)32-37(34,35)21-8-9-21/h6-7,16-17,21,23-24,32H,2-5,8-15H2,1H3,(H2,28,29,30,31)/t23-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347065
PNG
(CHEMBL1796250)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C(C)C)n3)cc2CC1
Show InChI InChI=1S/C26H39ClN6O3S/c1-18(2)37(34,35)32-24-7-5-4-6-23(24)30-25-22(27)17-28-26(31-25)29-21-9-8-19-10-12-33(14-15-36-3)13-11-20(19)16-21/h8-9,16-18,23-24,32H,4-7,10-15H2,1-3H3,(H2,28,29,30,31)/t23-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347069
PNG
(CHEMBL1796253)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1
Show InChI InChI=1S/C24H33ClN6O/c1-3-31-12-10-17-8-9-19(14-18(17)11-13-31)28-24-26-15-20(25)23(30-24)29-22-7-5-4-6-21(22)27-16(2)32/h8-9,14-15,21-22H,3-7,10-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)/t21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347068
PNG
(CHEMBL1795355)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)N(C)C)n3)cc2CC1
Show InChI InChI=1S/C25H36ClN7O/c1-4-33-13-11-17-9-10-19(15-18(17)12-14-33)28-24-27-16-20(26)23(31-24)29-21-7-5-6-8-22(21)30-25(34)32(2)3/h9-10,15-16,21-22H,4-8,11-14H2,1-3H3,(H,30,34)(H2,27,28,29,31)/t21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347071
PNG
(CHEMBL1796258)
Show SMILES CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H41ClN6O4S/c1-5-34(39(4,35)36)24-9-7-6-8-22(24)30-26-21(28)18-29-27(32-26)31-23-16-19-10-12-33(14-15-37-2)13-11-20(19)17-25(23)38-3/h16-18,22,24H,5-15H2,1-4H3,(H2,29,30,31,32)/t22-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347054
PNG
(CHEMBL1796241)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347061
PNG
(CHEMBL1796246)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C24H30ClF3N6O/c1-2-34-11-9-15-7-8-17(13-16(15)10-12-34)30-23-29-14-18(25)21(33-23)31-19-5-3-4-6-20(19)32-22(35)24(26,27)28/h7-8,13-14,19-20H,2-6,9-12H2,1H3,(H,32,35)(H2,29,30,31,33)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347073
PNG
(CHEMBL1796260)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@H]4CC[C@H](CC4)NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-3-4-21(15-18(17)10-12-31)28-24-26-16-22(25)23(29-24)27-19-5-7-20(8-6-19)30-35(2,32)33/h3-4,15-16,19-20,30H,5-14H2,1-2H3,(H2,26,27,28,29)/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347066
PNG
(CHEMBL1796251)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)CC(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H34ClF3N6O3S/c1-38-13-12-35-10-8-17-6-7-19(14-18(17)9-11-35)31-24-30-15-20(26)23(33-24)32-21-4-2-3-5-22(21)34-39(36,37)16-25(27,28)29/h6-7,14-15,21-22,34H,2-5,8-13,16H2,1H3,(H2,30,31,32,33)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347054
PNG
(CHEMBL1796241)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347068
PNG
(CHEMBL1795355)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)N(C)C)n3)cc2CC1
Show InChI InChI=1S/C25H36ClN7O/c1-4-33-13-11-17-9-10-19(15-18(17)12-14-33)28-24-27-16-20(26)23(31-24)29-21-7-5-6-8-22(21)30-25(34)32(2)3/h9-10,15-16,21-22H,4-8,11-14H2,1-3H3,(H,30,34)(H2,27,28,29,31)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347071
PNG
(CHEMBL1796258)
Show SMILES CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C27H41ClN6O4S/c1-5-34(39(4,35)36)24-9-7-6-8-22(24)30-26-21(28)18-29-27(32-26)31-23-16-19-10-12-33(14-15-37-2)13-11-20(19)17-25(23)38-3/h16-18,22,24H,5-15H2,1-4H3,(H2,29,30,31,32)/t22-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347070
PNG
(CHEMBL1796257)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347058
PNG
(CHEMBL1796245)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-7-8-19(15-18(17)10-12-31)27-24-26-16-20(25)23(29-24)28-21-5-3-4-6-22(21)30-35(2,32)33/h7-8,15-16,21-22,30H,3-6,9-14H2,1-2H3,(H2,26,27,28,29)/t21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347063
PNG
(CHEMBL1796248)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N)n3)cc2CC1
Show InChI InChI=1S/C23H33ClN6O/c1-31-13-12-30-10-8-16-6-7-18(14-17(16)9-11-30)27-23-26-15-19(24)22(29-23)28-21-5-3-2-4-20(21)25/h6-7,14-15,20-21H,2-5,8-13,25H2,1H3,(H2,26,27,28,29)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 680n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347062
PNG
(CHEMBL1796247)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H32ClF3N6O2/c1-37-13-12-35-10-8-16-6-7-18(14-17(16)9-11-35)31-24-30-15-19(26)22(34-24)32-20-4-2-3-5-21(20)33-23(36)25(27,28)29/h6-7,14-15,20-21H,2-5,8-13H2,1H3,(H,33,36)(H2,30,31,32,34)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347061
PNG
(CHEMBL1796246)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C24H30ClF3N6O/c1-2-34-11-9-15-7-8-17(13-16(15)10-12-34)30-23-29-14-18(25)21(33-23)31-19-5-3-4-6-20(19)32-22(35)24(26,27)28/h7-8,13-14,19-20H,2-6,9-12H2,1H3,(H,32,35)(H2,29,30,31,33)/t19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347066
PNG
(CHEMBL1796251)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)CC(F)(F)F)n3)cc2CC1
Show InChI InChI=1S/C25H34ClF3N6O3S/c1-38-13-12-35-10-8-17-6-7-19(14-18(17)9-11-35)31-24-30-15-20(26)23(33-24)32-21-4-2-3-5-22(21)34-39(36,37)16-25(27,28)29/h6-7,14-15,21-22,34H,2-5,8-13,16H2,1H3,(H2,30,31,32,33)/t21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347057
PNG
(CHEMBL1796244)
Show SMILES CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C23H33ClN6O2S/c1-3-30-12-10-16-8-9-18(14-17(16)11-13-30)26-23-25-15-19(24)22(28-23)27-20-6-4-5-7-21(20)29-33(2,31)32/h8-9,14-15,20-21,29H,3-7,10-13H2,1-2H3,(H2,25,26,27,28)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347064
PNG
(CHEMBL1796249)
Show SMILES CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
Show InChI InChI=1S/C25H37ClN6O3S/c1-3-36(33,34)31-23-7-5-4-6-22(23)29-24-21(26)17-27-25(30-24)28-20-9-8-18-10-12-32(14-15-35-2)13-11-19(18)16-20/h8-9,16-17,22-23,31H,3-7,10-15H2,1-2H3,(H2,27,28,29,30)/t22-,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347053
PNG
(CHEMBL1796254)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1
Show InChI InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347055
PNG
(CHEMBL1796242)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347074
PNG
(CHEMBL1796261)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@H](C4)NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-13-12-31-10-8-17-6-7-20(14-18(17)9-11-31)28-24-26-16-22(25)23(29-24)27-19-4-3-5-21(15-19)30-35(2,32)33/h6-7,14,16,19,21,30H,3-5,8-13,15H2,1-2H3,(H2,26,27,28,29)/t19-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347059
PNG
(CHEMBL1796255)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4O)n3)cc2CC1
Show InChI InChI=1S/C23H32ClN5O2/c1-31-13-12-29-10-8-16-6-7-18(14-17(16)9-11-29)26-23-25-15-19(24)22(28-23)27-20-4-2-3-5-21(20)30/h6-7,14-15,20-21,30H,2-5,8-13H2,1H3,(H2,25,26,27,28)/t20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347075
PNG
(CHEMBL1796262)
Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@@H](C4)NS(C)(=O)=O)n3)cc2CC1
Show InChI InChI=1S/C24H35ClN6O3S/c1-34-13-12-31-10-8-17-6-7-20(14-18(17)9-11-31)28-24-26-16-22(25)23(29-24)27-19-4-3-5-21(15-19)30-35(2,32)33/h6-7,14,16,19,21,30H,3-5,8-13,15H2,1-2H3,(H2,26,27,28,29)/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50347056
PNG
(CHEMBL1796243)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50347056
PNG
(CHEMBL1796243)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1
Show InChI InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 3877-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.040
BindingDB Entry DOI: 10.7270/Q2F76CX0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%