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PubMed code 24900237

Compile data set for download or QSAR
Found 41 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))
BDBM50385593
PNG
(CHEMBL2042694)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385602
PNG
(CHEMBL2042983)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385591
PNG
(CHEMBL2042981)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385601
PNG
(CHEMBL2042982)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385598
PNG
(CHEMBL2042828)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385599
PNG
(CHEMBL2042830)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385600
PNG
(CHEMBL2042831)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385593
PNG
(CHEMBL2042694)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385597
PNG
(CHEMBL2042827)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385602
PNG
(CHEMBL2042983)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385590
PNG
(CHEMBL2042829)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334081
PNG
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385594
PNG
(CHEMBL2042695)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385593
PNG
(CHEMBL2042694)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334081
PNG
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385602
PNG
(CHEMBL2042983)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334081
PNG
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385591
PNG
(CHEMBL2042981)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385601
PNG
(CHEMBL2042982)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385598
PNG
(CHEMBL2042828)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385591
PNG
(CHEMBL2042981)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385598
PNG
(CHEMBL2042828)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385599
PNG
(CHEMBL2042830)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385590
PNG
(CHEMBL2042829)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385601
PNG
(CHEMBL2042982)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385600
PNG
(CHEMBL2042831)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385600
PNG
(CHEMBL2042831)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385599
PNG
(CHEMBL2042830)
Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385594
PNG
(CHEMBL2042695)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385594
PNG
(CHEMBL2042695)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385595
PNG
(CHEMBL2042696)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385597
PNG
(CHEMBL2042827)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385597
PNG
(CHEMBL2042827)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 215n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385590
PNG
(CHEMBL2042829)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1
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n/an/a 225n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells in presence of mouse plasma


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385592
PNG
(CHEMBL2042693)
Show SMILES CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)15-6-3-7-16(12-15)27-21-18(24)13-26-23(29-21)28-17-9-10-19-14(11-17)5-4-8-20(31)30(19)2/h3,6-7,9-13H,4-5,8H2,1-2H3,(H,25,32)(H2,26,27,28,29)
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n/an/a 247n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385595
PNG
(CHEMBL2042696)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/m0/s1
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n/an/a 319n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385592
PNG
(CHEMBL2042693)
Show SMILES CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1
Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)15-6-3-7-16(12-15)27-21-18(24)13-26-23(29-21)28-17-9-10-19-14(11-17)5-4-8-20(31)30(19)2/h3,6-7,9-13H,4-5,8H2,1-2H3,(H,25,32)(H2,26,27,28,29)
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n/an/a 568n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385590
PNG
(CHEMBL2042829)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1
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n/an/a 597n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385595
PNG
(CHEMBL2042696)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/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+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50385596
PNG
(CHEMBL2042697)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.01E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50385596
PNG
(CHEMBL2042697)
Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O
Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK


ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%