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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'bisson' and Initial = 'w'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50212599
PNG
(CHEMBL426912 | N-Isobutyl-(2E,4E)-dodecadienamide ...)
Show SMILES CCCCCCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
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52n/an/an/an/an/an/an/an/a



Department of Chemistry and Applied Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor expressed in HEK cells


J Nat Prod 70: 1010-5 (2007)


Article DOI: 10.1021/np060598+
BindingDB Entry DOI: 10.7270/Q2930SV5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM82475
PNG
(ACETOPHENAZINE | CAS_5714-00-1 | NSC_17676)
Show SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
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800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from rat androgen receptor


Proc Natl Acad Sci USA 104: 11927-32 (2007)


Article DOI: 10.1073/pnas.0609752104
BindingDB Entry DOI: 10.7270/Q2MP544F
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from rat androgen receptor


Proc Natl Acad Sci USA 104: 11927-32 (2007)


Article DOI: 10.1073/pnas.0609752104
BindingDB Entry DOI: 10.7270/Q2MP544F
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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3.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from rat androgen receptor


Proc Natl Acad Sci USA 104: 11927-32 (2007)


Article DOI: 10.1073/pnas.0609752104
BindingDB Entry DOI: 10.7270/Q2MP544F
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of MET kinase by Dixon plot analysis


J Med Chem 52: 6543-5 (2009)


Article DOI: 10.1021/jm901330e
BindingDB Entry DOI: 10.7270/Q2M908RG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245258
PNG
(US9428500, 52)
Show SMILES COc1cc(c(OC)cc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C37H36N4O2/c1-40-17-19-41(20-18-40)29-12-9-26(10-13-29)27-11-14-33-32(22-27)36-30(15-16-38-37(36)39-33)31-24-34(42-2)28(23-35(31)43-3)21-25-7-5-4-6-8-25/h4-16,22-24H,17-21H2,1-3H3,(H,38,39)
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n/an/a 22n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245264
PNG
(US9428500, 58)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
Show InChI InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
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n/an/a 32n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261650
PNG
(N-(4-(3-((tert-butyldimethylsilyl)ethynyl)phenyl)t...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C)(C)C(C)(C)C
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n/an/a 33.1n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245222
PNG
(US9428500, 16)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
Show InChI InChI=1S/C35H32N4/c1-38-19-21-39(22-20-38)30-14-11-27(12-15-30)29-13-16-33-32(24-29)34-31(17-18-36-35(34)37-33)28-9-7-26(8-10-28)23-25-5-3-2-4-6-25/h2-18,24H,19-23H2,1H3,(H,36,37)
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n/an/a 40n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261649
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
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n/an/a 44.6n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261652
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1C(F)(F)F
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n/an/a 46.7n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(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 |r|
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
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n/an/a 51n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...


Bioorg Med Chem 22: 1303-12 (2014)


Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245230
PNG
(US9428500, 24)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4cccc5ccccc45)c3c2c1
Show InChI InChI=1S/C38H32N4/c1-41-21-23-42(24-22-41)31-16-13-26(14-17-31)30-15-18-36-35(25-30)37-34(19-20-39-38(37)40-36)29-11-9-28(10-12-29)33-8-4-6-27-5-2-3-7-32(27)33/h2-20,25H,21-24H2,1H3,(H,39,40)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245218
PNG
(US9428500, 12)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245230
PNG
(US9428500, 24)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4cccc5ccccc45)c3c2c1
Show InChI InChI=1S/C38H32N4/c1-41-21-23-42(24-22-41)31-16-13-26(14-17-31)30-15-18-36-35(25-30)37-34(19-20-39-38(37)40-36)29-11-9-28(10-12-29)33-8-4-6-27-5-2-3-7-32(27)33/h2-20,25H,21-24H2,1H3,(H,39,40)
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n/an/a 52n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261651
PNG
(5-(4-(4-methylpiperazine-1-carbonyl)phenyl)-N-(4-(...)
Show SMILES CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
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n/an/a 55.6n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 56n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...


Bioorg Med Chem 22: 1303-12 (2014)


Article DOI: 10.1016/j.bmc.2014.01.007
BindingDB Entry DOI: 10.7270/Q2NZ894Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245219
PNG
(US9428500, 13)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h2-15,20H,16-19H2,1H3,(H,32,33)/b5-2+
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n/an/a 91n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245216
PNG
(US9428500, 10)
Show SMILES COc1ccccc1\C=C\c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 110n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245218
PNG
(US9428500, 12)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)
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n/an/a 110n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245220
PNG
(US9428500, 14)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+
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n/an/a 120n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245243
PNG
(US9428500, 37)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H26N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-6,9-16,21H,17-20H2,1H3,(H,31,32)
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n/an/a 130n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245246
PNG
(US9428500, 40)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccc(F)cc4)c3c2c1
Show InChI InChI=1S/C30H25FN4/c1-34-16-18-35(19-17-34)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-32-30(29)33-28)5-2-21-3-9-25(31)10-4-21/h3-4,6-15,20H,16-19H2,1H3,(H,32,33)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245247
PNG
(US9428500, 41)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4F)c3c2c1
Show InChI InChI=1S/C30H25FN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-5,8-15,20H,16-19H2,1H3,(H,32,33)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245223
PNG
(US9428500, 17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245224
PNG
(US9428500, 18)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4F)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-15,20H,16-19H2,1H3,(H,32,33)/b7-6+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245229
PNG
(US9428500, 23)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(=O)c4ccccc4)c3c2c1
Show InChI InChI=1S/C35H30N4O/c1-38-19-21-39(22-20-38)29-14-11-24(12-15-29)28-13-16-32-31(23-28)33-30(17-18-36-35(33)37-32)25-7-9-27(10-8-25)34(40)26-5-3-2-4-6-26/h2-18,23H,19-22H2,1H3,(H,36,37)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245235
PNG
(US9428500, 29)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C31H31N5O2S/c1-35-17-19-36(20-18-35)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-32-31(30)33-29)8-7-23-5-3-4-6-28(23)34-39(2,37)38/h3-16,21,34H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 160n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245217
PNG
(US9428500, 11)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245234
PNG
(US9428500, 28)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C31H30N4/c1-22(20-23-6-4-3-5-7-23)27-14-15-32-31-30(27)28-21-25(10-13-29(28)33-31)24-8-11-26(12-9-24)35-18-16-34(2)17-19-35/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)/b22-20+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245243
PNG
(US9428500, 37)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4)c3c2c1
Show InChI InChI=1S/C30H26N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-6,9-16,21H,17-20H2,1H3,(H,31,32)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245213
PNG
(US9428500, 7)
Show SMILES COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C31H30N4O/c1-34-17-19-35(20-18-34)26-10-7-23(8-11-26)25-9-14-29-28(21-25)30-24(15-16-32-31(30)33-29)6-3-22-4-12-27(36-2)13-5-22/h3-16,21H,17-20H2,1-2H3,(H,32,33)/b6-3+
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245240
PNG
(US9428500, 34 | US9428500, 35)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
Show InChI InChI=1S/C28H26N6O2/c1-32-14-16-33(17-15-32)21-9-6-19(7-10-21)20-8-11-23-22(18-20)27-25(12-13-29-28(27)31-23)30-24-4-2-3-5-26(24)34(35)36/h2-13,18H,14-17H2,1H3,(H2,29,30,31)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM261671
PNG
(4-((4-methylpiperazin-1-yl)methyl)-N-(4-(3-((triis...)
Show SMILES CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
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UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245264
PNG
(US9428500, 58)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
Show InChI InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245222
PNG
(US9428500, 16)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
Show InChI InChI=1S/C35H32N4/c1-38-19-21-39(22-20-38)30-14-11-27(12-15-30)29-13-16-33-32(24-29)34-31(17-18-36-35(34)37-33)28-9-7-26(8-10-28)23-25-5-3-2-4-6-25/h2-18,24H,19-23H2,1H3,(H,36,37)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245223
PNG
(US9428500, 17)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
Show InChI InChI=1S/C34H30N4/c1-37-18-20-38(21-19-37)29-13-10-25(11-14-29)27-12-15-32-31(23-27)33-30(16-17-35-34(33)36-32)28-9-5-8-26(22-28)24-6-3-2-4-7-24/h2-17,22-23H,18-21H2,1H3,(H,35,36)
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UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245239
PNG
(US9428500, 33)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(O)c4ccccc4)c3c2c1
Show InChI InChI=1/C35H32N4O/c1-38-19-21-39(22-20-38)29-14-11-24(12-15-29)28-13-16-32-31(23-28)33-30(17-18-36-35(33)37-32)25-7-9-27(10-8-25)34(40)26-5-3-2-4-6-26/h2-18,23,34,40H,19-22H2,1H3,(H,36,37)
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n/an/a 230n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50376214
PNG
(CHEMBL263660)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3N(CC(=O)c3cccc4ccccc34)c2c1
Show InChI InChI=1S/C25H16F3NOS/c26-25(27,28)17-12-13-24-21(14-17)29(20-10-3-4-11-23(20)31-24)15-22(30)19-9-5-7-16-6-1-2-8-18(16)19/h1-14H,15H2
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n/an/a 250n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type androgen receptor expressed in CV1 cells assessed as dihydrotestosterone-stimulated transactivation by CAT reporter gene assa...


Proc Natl Acad Sci USA 104: 11927-32 (2007)


Article DOI: 10.1073/pnas.0609752104
BindingDB Entry DOI: 10.7270/Q2MP544F
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245212
PNG
(US9428500, 6)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4cccc(F)c4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-15-17-35(18-16-34)26-10-7-22(8-11-26)24-9-12-28-27(20-24)29-23(13-14-32-30(29)33-28)6-5-21-3-2-4-25(31)19-21/h2-14,19-20H,15-18H2,1H3,(H,32,33)/b6-5+
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n/an/a 250n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245217
PNG
(US9428500, 11)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b7-6+
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US Patent
n/an/a 260n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245234
PNG
(US9428500, 28)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
Show InChI InChI=1S/C31H30N4/c1-22(20-23-6-4-3-5-7-23)27-14-15-32-31-30(27)28-21-25(10-13-29(28)33-31)24-8-11-26(12-9-24)35-18-16-34(2)17-19-35/h3-15,20-21H,16-19H2,1-2H3,(H,32,33)/b22-20+
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n/an/a 270n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245245
PNG
(US9428500, 39)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H25F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-5,8-15,20H,16-19H2,1H3,(H,35,36)
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n/an/a 270n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245235
PNG
(US9428500, 29)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C31H31N5O2S/c1-35-17-19-36(20-18-35)26-12-9-22(10-13-26)25-11-14-29-27(21-25)30-24(15-16-32-31(30)33-29)8-7-23-5-3-4-6-28(23)34-39(2,37)38/h3-16,21,34H,17-20H2,1-2H3,(H,32,33)/b8-7+
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n/an/a 280n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245220
PNG
(US9428500, 14)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+
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n/an/a 280n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245244
PNG
(US9428500, 38)
Show SMILES COc1ccccc1C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H28N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-6,9-16,21H,17-20H2,1-2H3,(H,32,33)
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n/an/a 290n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245248
PNG
(US9428500, 42)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4Cl)c3c2c1
Show InChI InChI=1S/C30H25ClN4/c1-34-16-18-35(19-17-34)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-32-30(29)33-28)7-6-22-4-2-3-5-27(22)31/h2-5,8-15,20H,16-19H2,1H3,(H,32,33)
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n/an/a 290n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261636
PNG
(N-(4-(3,4-bis((2-(trifluoromethyl)phenyl)ethynyl)p...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
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n/an/a 300n/an/an/an/a7.525



UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITÈ DE GENÈVE; UNIVERSITÈ CLAUDE BERNARD LYON 1

US Patent




US Patent US9708279 (2017)


BindingDB Entry DOI: 10.7270/Q2MC921P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM245258
PNG
(US9428500, 52)
Show SMILES COc1cc(c(OC)cc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C37H36N4O2/c1-40-17-19-41(20-18-40)29-12-9-26(10-13-29)27-11-14-33-32(22-27)36-30(15-16-38-37(36)39-33)31-24-34(42-2)28(23-35(31)43-3)21-25-7-5-4-6-8-25/h4-16,22-24H,17-21H2,1-3H3,(H,38,39)
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n/an/a 310n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM245212
PNG
(US9428500, 6)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4cccc(F)c4)c3c2c1
Show InChI InChI=1S/C30H27FN4/c1-34-15-17-35(18-16-34)26-10-7-22(8-11-26)24-9-12-28-27(20-24)29-23(13-14-32-30(29)33-28)6-5-21-3-2-4-25(31)19-21/h2-14,19-20H,15-18H2,1H3,(H,32,33)/b6-5+
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n/an/a 320n/an/an/an/a7.530



UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON

US Patent


Assay Description
GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...


US Patent US9428500 (2016)


BindingDB Entry DOI: 10.7270/Q2CR5S8M
More data for this
Ligand-Target Pair
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