BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor (L1196M)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (L1196M)


(Homo sapiens (Human))
BDBM175253
PNG
(US9115140, I-131)
Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(F)c(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O
Show InChI InChI=1S/C28H31FN6O3S/c1-15(2)38-21-12-18(16-7-10-35(3)11-8-16)19(29)13-20(21)33-28-32-14-22-24(34-28)23(25(39-22)26(30)36)17-6-5-9-31-27(17)37-4/h5-6,9,12-16H,7-8,10-11H2,1-4H3,(H2,30,36)(H,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1n/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 (L1196M)


(Homo sapiens (Human))
BDBM199945
PNG
(US9226923, 3)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C24H26Cl2FN5O/c1-14(21-18(25)2-3-19(27)22(21)26)33-20-8-15(11-30-23(20)28)16-12-31-32(13-16)17-9-24(10-17)4-6-29-7-5-24/h2-3,8,11-14,17,29H,4-7,9-10H2,1H3,(H2,28,30)/t14-/s2
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...


US Patent US9226923 (2016)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175250
PNG
(US9115140, I-118)
Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCC(C3)N(C)C)nc12)C(N)=O
Show InChI InChI=1/C30H36N6O3S/c1-17(2)39-24-14-22(36-12-11-19(16-36)35(4)5)18(3)13-21(24)33-30-32-15-25-27(34-30)26(28(40-25)29(31)37)20-9-7-8-10-23(20)38-6/h7-10,13-15,17,19H,11-12,16H2,1-6H3,(H2,31,37)(H,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2n/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 (L1196M)


(Homo sapiens (Human))
BDBM193476
PNG
(US9199944, 58)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H37F3N8O5/c1-20(44)39-8-10-40(11-9-39)22-5-7-25(27(17-22)47-3)37-30-35-18-23(31(32,33)34)29(38-30)36-24-6-4-21(16-26(24)46-2)41-12-14-42(15-13-41)28(45)19-43/h4-7,16-18,43H,8-15,19H2,1-3H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193475
PNG
(US9199944, 57)
Show SMILES CCNC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C32H40F3N9O4/c1-5-36-31(46)44-16-14-43(15-17-44)22-6-8-25(27(18-22)47-3)38-29-24(32(33,34)35)20-37-30(40-29)39-26-9-7-23(19-28(26)48-4)42-12-10-41(11-13-42)21(2)45/h6-9,18-20H,5,10-17H2,1-4H3,(H,36,46)(H2,37,38,39,40)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193478
PNG
(US9199944, 60)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H37F3N8O5S/c1-20(42)38-9-11-39(12-10-38)21-6-8-25(27(18-21)46-3)36-29-34-19-23(30(31,32)33)28(37-29)35-24-7-5-22(17-26(24)45-2)40-13-15-41(16-14-40)47(4,43)44/h5-8,17-19H,9-16H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193484
PNG
(US9199944, 66)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(C)CC1
Show InChI InChI=1S/C30H37F3N8O3/c1-20(42)39-13-15-41(16-14-39)22-5-7-24(26(17-22)43-3)35-28-23(30(31,32)33)19-34-29(37-28)36-25-8-6-21(18-27(25)44-4)40-11-9-38(2)10-12-40/h5-8,17-19H,9-16H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193483
PNG
(US9199944, 65)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C31H37F3N8O5/c1-20(44)39-8-10-40(11-9-39)21-4-6-24(26(16-21)46-2)36-29-23(31(32,33)34)18-35-30(38-29)37-25-7-5-22(17-27(25)47-3)41-12-14-42(15-13-41)28(45)19-43/h4-7,16-18,43H,8-15,19H2,1-3H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193481
PNG
(US9199944, 63)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C29H35F3N8O3/c1-19(41)38-12-14-40(15-13-38)21-4-6-23(25(17-21)42-2)35-27-22(29(30,31)32)18-34-28(37-27)36-24-7-5-20(16-26(24)43-3)39-10-8-33-9-11-39/h4-7,16-18,33H,8-15H2,1-3H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193477
PNG
(US9199944, 59)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(C)CC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H37F3N8O3/c1-20(42)39-13-15-41(16-14-39)22-6-8-25(27(18-22)44-4)36-29-34-19-23(30(31,32)33)28(37-29)35-24-7-5-21(17-26(24)43-3)40-11-9-38(2)10-12-40/h5-8,17-19H,9-16H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175248
PNG
(US9115140, I-100)
Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12)C(N)=O
Show InChI InChI=1S/C28H33N7O3S/c1-16(2)38-21-14-20(35-11-9-34(4)10-12-35)17(3)13-19(21)32-28-31-15-22-24(33-28)23(25(39-22)26(29)36)18-7-6-8-30-27(18)37-5/h6-8,13-16H,9-12H2,1-5H3,(H2,29,36)(H,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 3n/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 (L1196M)


(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
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/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 (L1196M)


(Homo sapiens (Human))
BDBM193487
PNG
(US9199944, 69)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCNCC2)n1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C27H33F3N8O2/c1-39-23-15-18(37-11-7-31-8-12-37)3-5-21(23)34-25-20(27(28,29)30)17-33-26(36-25)35-22-6-4-19(16-24(22)40-2)38-13-9-32-10-14-38/h3-6,15-17,31-32H,7-14H2,1-2H3,(H2,33,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193474
PNG
(US9199944, 56)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCNCC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H35F3N8O3/c1-19(41)38-12-14-40(15-13-38)21-5-7-24(26(17-21)43-3)36-28-34-18-22(29(30,31)32)27(37-28)35-23-6-4-20(16-25(23)42-2)39-10-8-33-9-11-39/h4-7,16-18,33H,8-15H2,1-3H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193495
PNG
(US9199944, 77)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCNCC2)n1)N1CCNCC1
Show InChI InChI=1S/C26H33ClN8O2/c1-36-23-15-18(34-11-7-28-8-12-34)3-5-21(23)31-25-20(27)17-30-26(33-25)32-22-6-4-19(16-24(22)37-2)35-13-9-29-10-14-35/h3-6,15-17,28-29H,7-14H2,1-2H3,(H2,30,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193486
PNG
(US9199944, 68)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H39F3N8O4/c1-21(44)40-12-14-42(15-13-40)23-4-6-25(27(18-23)45-2)36-29-24(31(32,33)34)20-35-30(38-29)37-26-7-5-22(19-28(26)46-3)41-10-8-39(9-11-41)16-17-43/h4-7,18-20,43H,8-17H2,1-3H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 5n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193490
PNG
(US9199944, 72)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C31H37F3N8O6/c1-47-25-15-20(39-7-11-41(12-8-39)27(45)18-43)3-5-23(25)36-29-22(31(32,33)34)17-35-30(38-29)37-24-6-4-21(16-26(24)48-2)40-9-13-42(14-10-40)28(46)19-44/h3-6,15-17,43-44H,7-14,18-19H2,1-2H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 5n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
US Patent
n/an/a 7.40n/an/an/an/an/an/a



Nanjing Allgen Pharma Co. Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ...


US Patent US9226923 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193482
PNG
(US9199944, 64)
Show SMILES CCNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C32H40F3N9O4/c1-5-36-31(46)44-16-14-43(15-17-44)23-7-9-26(28(19-23)48-4)39-30-37-20-24(32(33,34)35)29(40-30)38-25-8-6-22(18-27(25)47-3)42-12-10-41(11-13-42)21(2)45/h6-9,18-20H,5,10-17H2,1-4H3,(H,36,46)(H2,37,38,39,40)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 8n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175255
PNG
(US9115140, I-159)
Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12)C(N)=O
Show InChI InChI=1S/C29H34N6O3S/c1-18(2)38-23-15-19(17-35-13-11-34(3)12-14-35)9-10-21(23)32-29-31-16-24-26(33-29)25(27(39-24)28(30)36)20-7-5-6-8-22(20)37-4/h5-10,15-16,18H,11-14,17H2,1-4H3,(H2,30,36)(H,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 9n/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 (L1196M)


(Homo sapiens (Human))
BDBM193451
PNG
(US9199944, 33)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H33ClF2N8O3/c1-18(40)37-11-13-39(14-12-37)19-3-5-22(24(15-19)41-2)35-28-33-17-21(29)26(36-28)34-23-6-4-20(16-25(23)42-27(30)31)38-9-7-32-8-10-38/h3-6,15-17,27,32H,7-14H2,1-2H3,(H2,33,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193498
PNG
(US9199944, 80)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C30H37ClN8O6/c1-44-25-15-20(36-7-11-38(12-8-36)27(42)18-40)3-5-23(25)33-29-22(31)17-32-30(35-29)34-24-6-4-21(16-26(24)45-2)37-9-13-39(14-10-37)28(43)19-41/h3-6,15-17,40-41H,7-14,18-19H2,1-2H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 11n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193479
PNG
(US9199944, 61)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H39F3N8O4/c1-21(44)40-12-14-42(15-13-40)23-5-7-26(28(19-23)46-3)37-30-35-20-24(31(32,33)34)29(38-30)36-25-6-4-22(18-27(25)45-2)41-10-8-39(9-11-41)16-17-43/h4-7,18-20,43H,8-17H2,1-3H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 11n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175257
PNG
(US9115140, I-172)
Show SMILES COc1ncc(F)cc1-c1c(sc2cnc(Nc3cc(nn3C(C)C)C3CCOCC3)nc12)C(N)=O
Show InChI InChI=1S/C24H26FN7O3S/c1-12(2)32-18(9-16(31-32)13-4-6-35-7-5-13)29-24-28-11-17-20(30-24)19(21(36-17)22(26)33)15-8-14(25)10-27-23(15)34-3/h8-13H,4-7H2,1-3H3,(H2,26,33)(H,28,29,30)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 13n/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 (L1196M)


(Homo sapiens (Human))
BDBM60576
PNG
(US9115140, I-191)
Show SMILES COc1nc(C)ccc1-c1c(CO)sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C29H36N6O3S/c1-17(2)38-23-14-22(35-11-9-34(5)10-12-35)18(3)13-21(23)32-29-30-15-24-27(33-29)26(25(16-36)39-24)20-8-7-19(4)31-28(20)37-6/h7-8,13-15,17,36H,9-12,16H2,1-6H3,(H,30,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 14n/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 (L1196M)


(Homo sapiens (Human))
BDBM175249
PNG
(US9115140, I-115)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O3S/c1-15(2)35-21-13-18(17-7-10-32(4)11-8-17)5-6-20(21)30-27-29-14-22-24(31-27)23(25(36-22)26(28)33)19-9-12-34-16(19)3/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H2,28,33)(H,29,30,31)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 17n/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 (L1196M)


(Homo sapiens (Human))
BDBM193503
PNG
(US9199944, 85)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H39ClN8O4/c1-21(41)37-12-14-39(15-13-37)23-4-6-25(27(18-23)42-2)33-29-24(31)20-32-30(35-29)34-26-7-5-22(19-28(26)43-3)38-10-8-36(9-11-38)16-17-40/h4-7,18-20,40H,8-17H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 21n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193419
PNG
(US9199944, 1)
Show SMILES CCOc1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H39ClN8O4/c1-5-44-29-19-24(40-16-12-38(13-17-40)22(3)42)7-9-27(29)34-30-25(32)20-33-31(36-30)35-26-8-6-23(18-28(26)43-4)39-14-10-37(11-15-39)21(2)41/h6-9,18-20H,5,10-17H2,1-4H3,(H2,33,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 23.4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193506
PNG
(US9199944, 88)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H35ClF2N8O5/c1-19(43)38-7-9-39(10-8-38)20-3-5-23(25(15-20)45-2)36-30-34-17-22(31)28(37-30)35-24-6-4-21(16-26(24)46-29(32)33)40-11-13-41(14-12-40)27(44)18-42/h3-6,15-17,29,42H,7-14,18H2,1-2H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 27n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193501
PNG
(US9199944, 83)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C30H37ClN8O5/c1-20(41)36-8-10-37(11-9-36)21-4-6-24(26(16-21)43-2)33-29-23(31)18-32-30(35-29)34-25-7-5-22(17-27(25)44-3)38-12-14-39(15-13-38)28(42)19-40/h4-7,16-18,40H,8-15,19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 27n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175260
PNG
(US9115140, I-202)
Show SMILES COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 29n/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 (L1196M)


(Homo sapiens (Human))
BDBM193454
PNG
(US9199944, 36)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H37FN8O5/c1-20(41)36-8-10-37(11-9-36)22-5-7-25(27(17-22)44-3)34-30-32-18-23(31)29(35-30)33-24-6-4-21(16-26(24)43-2)38-12-14-39(15-13-38)28(42)19-40/h4-7,16-18,40H,8-15,19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 31n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193480
PNG
(US9199944, 62)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H43F3N8O5/c1-22(46)42-11-13-43(14-12-42)23-7-9-26(28(19-23)48-5)39-30-25(34(35,36)37)21-38-31(41-30)40-27-10-8-24(20-29(27)49-6)44-15-17-45(18-16-44)32(47)50-33(2,3)4/h7-10,19-21H,11-18H2,1-6H3,(H2,38,39,40,41)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 33n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193462
PNG
(US9199944, 44)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H35F3N8O5/c1-19(43)38-7-9-39(10-8-38)20-3-5-23(25(15-20)45-2)36-30-34-17-22(31)28(37-30)35-24-6-4-21(16-26(24)46-29(32)33)40-11-13-41(14-12-40)27(44)18-42/h3-6,15-17,29,42H,7-14,18H2,1-2H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 36n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193485
PNG
(US9199944, 67)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C30H37F3N8O5S/c1-20(42)38-9-11-39(12-10-38)21-5-7-24(26(17-21)45-2)35-28-23(30(31,32)33)19-34-29(37-28)36-25-8-6-22(18-27(25)46-3)40-13-15-41(16-14-40)47(4,43)44/h5-8,17-19H,9-16H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 39n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193453
PNG
(US9199944, 35)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H35ClF2N8O4/c1-19(42)38-8-12-40(13-9-38)21-4-6-24(26(16-21)44-3)36-30-34-18-23(31)28(37-30)35-25-7-5-22(17-27(25)45-29(32)33)41-14-10-39(11-15-41)20(2)43/h4-7,16-18,29H,8-15H2,1-3H3,(H2,34,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 41n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193430
PNG
(US9199944, 12)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H35ClN8O3/c1-19(38)35-12-14-37(15-13-35)21-5-7-24(26(17-21)40-3)33-28-31-18-22(29)27(34-28)32-23-6-4-20(16-25(23)39-2)36-10-8-30-9-11-36/h4-7,16-18,30H,8-15H2,1-3H3,(H2,31,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 43n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193439
PNG
(US9199944, 21)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)S(N)(=O)=O)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H36ClN9O5S/c1-19(39)35-8-10-36(11-9-35)20-5-7-24(26(17-20)43-3)33-28-31-18-22(29)27(34-28)32-23-6-4-21(16-25(23)42-2)37-12-14-38(15-13-37)44(30,40)41/h4-7,16-18H,8-15H2,1-3H3,(H2,30,40,41)(H2,31,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 43n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175258
PNG
(US9115140, I-176)
Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cccc(N4CCN(C)CC4)c3OC(C)C)nc12)C(N)=O
Show InChI InChI=1S/C27H31N7O3S/c1-16(2)37-23-18(8-5-9-19(23)34-13-11-33(3)12-14-34)31-27-30-15-20-22(32-27)21(24(38-20)25(28)35)17-7-6-10-29-26(17)36-4/h5-10,15-16H,11-14H2,1-4H3,(H2,28,35)(H,30,31,32)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 43n/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 (L1196M)


(Homo sapiens (Human))
BDBM193492
PNG
(US9199944, 74)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2Cl)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H34Cl2N8O3/c1-19(40)36-8-12-38(13-9-36)21-4-6-25(23(30)16-21)33-28-24(31)18-32-29(35-28)34-26-7-5-22(17-27(26)42-3)39-14-10-37(11-15-39)20(2)41/h4-7,16-18H,8-15H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 44n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193489
PNG
(US9199944, 71)
Show SMILES CCNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)NCC)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C33H43F3N10O4/c1-5-37-31(47)45-15-11-43(12-16-45)22-7-9-25(27(19-22)49-3)40-29-24(33(34,35)36)21-39-30(42-29)41-26-10-8-23(20-28(26)50-4)44-13-17-46(18-14-44)32(48)38-6-2/h7-10,19-21H,5-6,11-18H2,1-4H3,(H,37,47)(H,38,48)(H2,39,40,41,42)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 46n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193455
PNG
(US9199944, 37)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H33F3N8O3/c1-18(40)37-11-13-39(14-12-37)19-3-5-22(24(15-19)41-2)35-28-33-17-21(29)26(36-28)34-23-6-4-20(16-25(23)42-27(30)31)38-9-7-32-8-10-38/h3-6,15-17,27,32H,7-14H2,1-2H3,(H2,33,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 49n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193429
PNG
(US9199944, 11)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H37F3N8O4/c1-20(43)39-9-13-41(14-10-39)22-5-7-25(27(17-22)45-3)36-29-24(31(32,33)34)19-35-30(38-29)37-26-8-6-23(18-28(26)46-4)42-15-11-40(12-16-42)21(2)44/h5-8,17-19H,9-16H2,1-4H3,(H2,35,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 49n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193505
PNG
(US9199944, 87)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H37ClN8O5S/c1-20(39)35-9-11-36(12-10-35)21-5-7-24(26(17-21)42-2)32-28-23(30)19-31-29(34-28)33-25-8-6-22(18-27(25)43-3)37-13-15-38(16-14-37)44(4,40)41/h5-8,17-19H,9-16H2,1-4H3,(H2,31,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 53n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175252
PNG
(US9115140, I-127)
Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC(C)C)-c3cnn(C)c3)nc12)C(N)=O
Show InChI InChI=1S/C27H26N6O3S/c1-15(2)36-21-11-16(17-12-30-33(3)14-17)9-10-19(21)31-27-29-13-22-24(32-27)23(25(37-22)26(28)34)18-7-5-6-8-20(18)35-4/h5-15H,1-4H3,(H2,28,34)(H,29,31,32)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 54n/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 (L1196M)


(Homo sapiens (Human))
BDBM193434
PNG
(US9199944, 16)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H39ClN8O4/c1-21(41)37-12-14-39(15-13-37)23-5-7-26(28(19-23)43-3)34-30-32-20-24(31)29(35-30)33-25-6-4-22(18-27(25)42-2)38-10-8-36(9-11-38)16-17-40/h4-7,18-20,40H,8-17H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 56n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM175256
PNG
(US9115140, I-164)
Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(NC4CCOCC4)cc3OC(C)C)nc12)C(N)=O
Show InChI InChI=1S/C28H31N5O4S/c1-16(2)37-22-14-18(31-17-10-12-36-13-11-17)8-9-20(22)32-28-30-15-23-25(33-28)24(26(38-23)27(29)34)19-6-4-5-7-21(19)35-3/h4-9,14-17,31H,10-13H2,1-3H3,(H2,29,34)(H,30,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 57n/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 (L1196M)


(Homo sapiens (Human))
BDBM193491
PNG
(US9199944, 73)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC(F)F)N3CCN(CC3)C(C)=O)n2)C(F)(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C31H33F7N8O4/c1-18(47)43-7-11-45(12-8-43)20-3-5-23(25(15-20)49-28(32)33)40-27-22(31(36,37)38)17-39-30(42-27)41-24-6-4-21(16-26(24)50-29(34)35)46-13-9-44(10-14-46)19(2)48/h3-6,15-17,28-29H,7-14H2,1-2H3,(H2,39,40,41,42)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 58n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193432
PNG
(US9199944, 14)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C30H37ClN8O5/c1-20(41)36-8-10-37(11-9-36)22-5-7-25(27(17-22)44-3)34-30-32-18-23(31)29(35-30)33-24-6-4-21(16-26(24)43-2)38-12-14-39(15-13-38)28(42)19-40/h4-7,16-18,40H,8-15,19H2,1-3H3,(H2,32,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 63n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193497
PNG
(US9199944, 79)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C28H37ClN8O6S2/c1-42-25-17-20(34-9-13-36(14-10-34)44(3,38)39)5-7-23(25)31-27-22(29)19-30-28(33-27)32-24-8-6-21(18-26(24)43-2)35-11-15-37(16-12-35)45(4,40)41/h5-8,17-19H,9-16H2,1-4H3,(H2,30,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 64n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


US Patent US9199944 (2015)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 91 total )  |  Next  |  Last  >>
Jump to: