BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1487 hits of ic50 data for polymerid = 50004290,5809   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018836
PNG
(CHEMBL3286826)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3nc(cnc3N)-c12
Show InChI InChI=1S/C20H21FN6O3/c1-10-13-7-11(21)5-6-12(13)20(28)26(2)9-15-16(18(29-4)25-27(15)3)14-8-23-17(22)19(24-14)30-10/h5-8,10H,9H2,1-4H3,(H2,22,23)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178978
PNG
(US9126931, 277)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCC(N)CC1)C#N
Show InChI InChI=1S/C24H23BrN4O/c1-24(2)17-11-20(29-7-5-14(27)6-8-29)18(25)10-16(17)22(30)21-15-4-3-13(12-26)9-19(15)28-23(21)24/h3-4,9-11,14,28H,5-8,27H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.168n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018835
PNG
(CHEMBL3286825)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3cc(cnc3N)-c12
Show InChI InChI=1S/C21H22FN5O3/c1-11-15-8-13(22)5-6-14(15)21(28)26(2)10-16-18(20(29-4)25-27(16)3)12-7-17(30-11)19(23)24-9-12/h5-9,11H,10H2,1-4H3,(H2,23,24)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018830
PNG
(CHEMBL3286830)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EML4-fused ALK F1174L mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018833
PNG
(CHEMBL3286823)
Show SMILES C[C@H]1Oc2nc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12
Show InChI InChI=1S/C20H21FN6O2/c1-10-17-15-8-23-18(22)19(24-15)29-11(2)14-7-12(21)5-6-13(14)20(28)26(3)9-16(17)27(4)25-10/h5-8,11H,9H2,1-4H3,(H2,22,23)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179072
PNG
(US9126931, 822)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-8-20(9-13-33)32-10-5-11-32)29(2,3)28-26(27(22)34)21-7-6-18(17-30)14-24(21)31-28/h6-7,14-16,20,31H,4-5,8-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179071
PNG
(US9126931, 796)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C1CCC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1/C29H31BrN4O/c1-16-14-33(15-17(2)34(16)19-6-5-7-19)25-12-22-21(11-23(25)30)27(35)26-20-9-8-18(13-31)10-24(20)32-28(26)29(22,3)4/h8-12,16-17,19,32H,5-7,14-15H2,1-4H3/t16-,17+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179073
PNG
(US9126931, 823)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC(O)CC1
Show InChI InChI=1S/C31H36N4O2/c1-4-20-16-24-25(17-27(20)35-11-7-21(8-12-35)34-13-9-22(36)10-14-34)31(2,3)30-28(29(24)37)23-6-5-19(18-32)15-26(23)33-30/h5-6,15-17,21-22,33,36H,4,7-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178992
PNG
(US9126931, 338)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C29H28N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h1,8-9,14-16,20,31H,5-7,10-13H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179026
PNG
(US9126931, 543)
Show SMILES CC(C)(C)N1CCN(CC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C21CCOCC1
Show InChI InChI=1S/C29H31BrN4O2/c1-28(2,3)34-10-8-33(9-11-34)24-16-21-20(15-22(24)30)26(35)25-19-5-4-18(17-31)14-23(19)32-27(25)29(21)6-12-36-13-7-29/h4-5,14-16,32H,6-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.320n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018838
PNG
(CHEMBL3286828)
Show SMILES C[C@H]1Oc2nc(cnc2N)-c2cc(ccc2CN(C)C(=O)c2ccc(F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C22H21FN4O4S/c1-12-17-8-14(23)5-7-16(17)22(28)27(2)11-13-4-6-15(32(3,29)30)9-18(13)19-10-25-20(24)21(26-19)31-12/h4-10,12H,11H2,1-3H3,(H2,24,25)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179002
PNG
(US9126931, 403)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN4O2/c1-28(2)21-15-24(33-7-5-18(6-8-33)32-9-11-35-12-10-32)22(29)14-20(21)26(34)25-19-4-3-17(16-30)13-23(19)31-27(25)28/h3-4,13-15,18,31H,5-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.391n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179069
PNG
(US9126931, 786)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C29H33N5O2/c1-6-19-14-21-22(15-24(19)33-9-11-34(12-10-33)25(35)17-32(4)5)29(2,3)28-26(27(21)36)20-8-7-18(16-30)13-23(20)31-28/h7-8,13-15,31H,6,9-12,17H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50265869
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin...)
Show SMILES COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C24H26N8O3S/c1-31(2)12-19(33)32-8-5-13-10-18(35-3)16(11-17(13)32)28-24-29-22-14(4-7-26-22)23(30-24)27-15-6-9-36-20(15)21(25)34/h4,6-7,9-11H,5,8,12H2,1-3H3,(H2,25,34)(H3,26,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178997
PNG
(US9126931, 359)
Show SMILES CC(C)OCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C32H34N4O3/c1-20(2)39-13-5-6-22-15-25-26(16-28(22)36-11-9-35(10-12-36)23-18-38-19-23)32(3,4)31-29(30(25)37)24-8-7-21(17-33)14-27(24)34-31/h7-8,14-16,20,23,34H,9-13,18-19H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179033
PNG
(US9126931, 601)
Show SMILES CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(-c3nn[nH]n3)c(O)cc12
Show InChI InChI=1S/C19H14ClN5O2/c1-19(2)12-7-14(26)11(18-22-24-25-23-18)6-10(12)16(27)15-9-4-3-8(20)5-13(9)21-17(15)19/h3-7,21,26H,1-2H3,(H,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.456n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179083
PNG
(US9126931, 882)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cnc(cc12)N1CCC(CC1)N1CCCCC1)C#N
Show InChI InChI=1S/C28H31N5O/c1-28(2)22-15-24(33-12-8-19(9-13-33)32-10-4-3-5-11-32)30-17-21(22)26(34)25-20-7-6-18(16-29)14-23(20)31-27(25)28/h6-7,14-15,17,19,31H,3-5,8-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.494n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM175251
PNG
(US9115140, I-123)
Show SMILES CCN1CCC(CC1)c1cc(Nc2ncc3sc(C(N)=O)c(-c4ccccc4OC(F)(F)F)c3n2)n(n1)C(C)C
Show InChI InChI=1S/C27H30F3N7O2S/c1-4-36-11-9-16(10-12-36)18-13-21(37(35-18)15(2)3)33-26-32-14-20-23(34-26)22(24(40-20)25(31)38)17-7-5-6-8-19(17)39-27(28,29)30/h5-8,13-16H,4,9-12H2,1-3H3,(H2,31,38)(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....


US Patent US9115140 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM175246
PNG
(US9115140, I-26)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1
Show InChI InChI=1S/C29H30F3N5O3S/c1-16(2)39-22-14-18(17-10-12-37(3)13-11-17)8-9-20(22)35-28-34-15-23-25(36-28)24(26(41-23)27(33)38)19-6-4-5-7-21(19)40-29(30,31)32/h4-9,14-17H,10-13H2,1-3H3,(H2,33,38)(H,34,35,36)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....


US Patent US9115140 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50363253
PNG
(CHEMBL1946804)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179000
PNG
(US9126931, 380)
Show SMILES CCN(CC)CCOc1cc2c(cc1C(C)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C27H29N3O3/c1-6-30(7-2)10-11-33-23-14-21-20(13-19(23)16(3)31)25(32)24-18-9-8-17(15-28)12-22(18)29-26(24)27(21,4)5/h8-9,12-14,29H,6-7,10-11H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.530n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178993
PNG
(US9126931, 340)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
Show InChI InChI=1S/C33H34N4O/c1-33(2)27-19-29(37-15-13-36(14-16-37)24-7-4-8-24)23(11-9-21-5-3-6-21)18-26(27)31(38)30-25-12-10-22(20-34)17-28(25)35-32(30)33/h10,12,17-19,21,24,35H,3-8,13-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.580n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179019
PNG
(US9126931, 486)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOC3)c(cc12)N1CCOCC1)C#N
Show InChI InChI=1/C27H27N3O4/c1-27(2)20-13-22(30-6-9-32-10-7-30)23(34-17-5-8-33-15-17)12-19(20)25(31)24-18-4-3-16(14-28)11-21(18)29-26(24)27/h3-4,11-13,17,29H,5-10,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50296896
PNG
((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)
Show SMILES C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1
Show InChI InChI=1S/C24H23N7O2/c1-15-8-18(10-19(33)9-15)23-20(14-31(30-23)7-5-25)21-11-22(27-12-16(2)32)29-24(28-21)17-4-3-6-26-13-17/h3-4,6,8-11,13-14,16,32-33H,7,12H2,1-2H3,(H,27,28,29)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179076
PNG
(US9126931, 832)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCCCO
Show InChI InChI=1S/C29H34N4O2/c1-4-19-15-22-23(16-25(19)33-11-8-20(9-12-33)31-10-5-13-34)29(2,3)28-26(27(22)35)21-7-6-18(17-30)14-24(21)32-28/h6-7,14-16,20,31-32,34H,4-5,8-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50062357
PNG
(AP26113 | CHEMBL3397300)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50044463
PNG
(CHEMBL3357458)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(CC3)C(=O)\C=C\CN(C)C)c2)ncc1Cl
Show InChI InChI=1S/C31H39ClN8O4S/c1-22(2)45(43,44)27-12-6-5-11-26(27)36-30-25(32)20-33-31(37-30)35-24-10-7-9-23(19-24)34-28(41)21-39-15-17-40(18-16-39)29(42)13-8-14-38(3)4/h5-13,19-20,22H,14-18,21H2,1-4H3,(H,34,41)(H2,33,35,36,37)/b13-8+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018815
PNG
(CHEMBL3286820)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12
Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179075
PNG
(US9126931, 829)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H37N5O/c1-5-21-17-24-25(18-27(21)36-10-8-22(9-11-36)35-14-12-34(4)13-15-35)31(2,3)30-28(29(24)37)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,5,8-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018836
PNG
(CHEMBL3286826)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3nc(cnc3N)-c12
Show InChI InChI=1S/C20H21FN6O3/c1-10-13-7-11(21)5-6-12(13)20(28)26(2)9-15-16(18(29-4)25-27(15)3)14-8-23-17(22)19(24-14)30-10/h5-8,10H,9H2,1-4H3,(H2,22,23)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179030
PNG
(US9126931, 579)
Show SMILES CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4c(F)c(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C26H27FN4O/c1-15(2)30-9-11-31(12-10-30)17-6-8-18-20(13-17)26(3,4)25-21(24(18)32)19-7-5-16(14-28)22(27)23(19)29-25/h5-8,13,15,29H,9-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.770n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50044428
PNG
(CHEMBL3357452)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3CN(C3)C(=O)CCCN(C)C)c2)ncc1Cl
Show InChI InChI=1S/C29H36ClN7O4S/c1-19(2)42(40,41)25-12-6-5-11-24(25)34-27-23(30)16-31-29(35-27)33-22-10-7-9-21(15-22)32-28(39)20-17-37(18-20)26(38)13-8-14-36(3)4/h5-7,9-12,15-16,19-20H,8,13-14,17-18H2,1-4H3,(H,32,39)(H2,31,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) after 60 mins by ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178985
PNG
(US9126931, 304)
Show SMILES Cn1cc(cn1)-c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCOCC1
Show InChI InChI=1S/C27H25N5O2/c1-27(2)21-12-23(32-6-8-34-9-7-32)19(17-14-29-31(3)15-17)11-20(21)25(33)24-18-5-4-16(13-28)10-22(18)30-26(24)27/h4-5,10-12,14-15,30H,6-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.810n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179079
PNG
(US9126931, 849)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCC1CC1
Show InChI InChI=1S/C30H34N4O/c1-4-20-14-23-24(15-26(20)34-11-9-21(10-12-34)32-17-18-5-6-18)30(2,3)29-27(28(23)35)22-8-7-19(16-31)13-25(22)33-29/h7-8,13-15,18,21,32-33H,4-6,9-12,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.813n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179009
PNG
(US9126931, 429)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1=CCNCC1)C#N
Show InChI InChI=1S/C24H21N3O/c1-24(2)19-6-4-16(15-7-9-26-10-8-15)12-18(19)22(28)21-17-5-3-14(13-25)11-20(17)27-23(21)24/h3-7,11-12,26-27H,8-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.830n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178963
PNG
(US9126931, 177)
Show SMILES CC(C)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
Show InChI InChI=1S/C27H29N3O/c1-16(2)30-11-9-18(10-12-30)19-6-8-20-22(14-19)27(3,4)26-24(25(20)31)21-7-5-17(15-28)13-23(21)29-26/h5-8,13-14,16,18,29H,9-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.840n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179027
PNG
(US9126931, 546)
Show SMILES O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(N3CCC(CC3)N3CCCC3)c(cc12)C#N
Show InChI InChI=1S/C31H31N5O2/c32-18-20-3-4-23-26(15-20)34-30-28(23)29(37)24-16-21(19-33)27(17-25(24)31(30)7-13-38-14-8-31)36-11-5-22(6-12-36)35-9-1-2-10-35/h3-4,15-17,22,34H,1-2,5-14H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.860n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178988
PNG
(US9126931, 319)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C31H30N4O2/c1-31(2)25-15-27(35-11-9-34(10-12-35)22-17-37-18-22)21(7-5-19-3-4-19)14-24(25)29(36)28-23-8-6-20(16-32)13-26(23)33-30(28)31/h6,8,13-15,19,22,33H,3-4,9-12,17-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.881n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018829
PNG
(CHEMBL3286819)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CCCOc3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H20FN5O2/c1-12-15-9-14(22)5-6-18(15)28-7-3-4-16-20(17(10-23)27(2)26-16)13-8-19(29-12)21(24)25-11-13/h5-6,8-9,11-12H,3-4,7H2,1-2H3,(H2,24,25)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM179028
PNG
(US9126931, 550)
Show SMILES CC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCOCC3)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C33H34N4O3/c1-2-3-23-19-26-27(20-29(23)37-10-6-24(7-11-37)36-12-16-40-17-13-36)33(8-14-39-15-9-33)32-30(31(26)38)25-5-4-22(21-34)18-28(25)35-32/h4-5,18-20,24,35H,6-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178980
PNG
(US9126931, 286)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H25BrN4O2/c1-26(2)19-11-22(31-7-5-30(6-8-31)16-13-33-14-16)20(27)10-18(19)24(32)23-17-4-3-15(12-28)9-21(17)29-25(23)26/h3-4,9-11,16,29H,5-8,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.952n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178939
PNG
(US9126931, 109)
Show SMILES C[C@H]1CN(CCN1c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1)C1CCC1
Show InChI InChI=1/C28H30N4O/c1-17-16-31(19-5-4-6-19)11-12-32(17)20-8-10-21-23(14-20)28(2,3)27-25(26(21)33)22-9-7-18(15-29)13-24(22)30-27/h7-10,13-14,17,19,30H,4-6,11-12,16H2,1-3H3/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.981n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178970
PNG
(US9126931, 226)
Show SMILES CN1CCC(CC1)Oc1cc2c(cc1[N+]([O-])=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
Show InChI InChI=1S/C25H24N4O4/c1-25(2)18-12-21(33-15-6-8-28(3)9-7-15)20(29(31)32)11-17(18)23(30)22-16-5-4-14(13-26)10-19(16)27-24(22)25/h4-5,10-12,15,27H,6-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.991n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM178987
PNG
(US9126931, 314)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CCN3CCN(CC3)C3COC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C36H40N6O3/c1-36(2)30-18-32(42-14-12-41(13-15-42)27-22-45-23-27)25(4-3-7-39-8-10-40(11-9-39)26-20-44-21-26)17-29(30)34(43)33-28-6-5-24(19-37)16-31(28)38-35(33)36/h5-6,16-18,26-27,38H,7-15,20-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 0.996n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...


US Patent US9126931 (2015)

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)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50396268
PNG
(CHEMBL2172321)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12
Show InChI InChI=1S/C34H44N6O3/c1-22(2)36-31(41)25-9-11-28(12-10-25)40-30-19-24(21-39-16-14-27(15-17-39)34(3,4)43)8-13-29(30)37-33(40)38-32(42)26-7-5-6-23(18-26)20-35/h5-8,13,18-19,22,25,27-28,43H,9-12,14-17,21H2,1-4H3,(H,36,41)(H,37,38,42)/t25-,28+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK enzyme


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1487 total )  |  Next  |  Last  >>
Jump to: