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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 450.3
BDBM50306682
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Wt: 490.4
BDBM199945
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Wt: 489.3
BDBM261689
Wt: 520.4
BDBM261711

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 597 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
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
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0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH...


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (F1174L)


(Homo sapiens (Human))
BDBM261689
PNG
(US9708295, 30)
Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (F1174L)


(Homo sapiens (Human))
BDBM261711
PNG
(US9708295, 53)
Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (R1275Q)


(Homo sapiens (Human))
BDBM261689
PNG
(US9708295, 30)
Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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
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4n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 108: 495-504 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.016
BindingDB Entry DOI: 10.7270/Q2G73GMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (R1275Q)


(Homo sapiens (Human))
BDBM261711
PNG
(US9708295, 53)
Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

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


(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
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8.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-...


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261689
PNG
(US9708295, 30)
Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
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18.8n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261711
PNG
(US9708295, 53)
Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1
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32.1n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (G1269S)


(Homo sapiens (Human))
BDBM261689
PNG
(US9708295, 30)
Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
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93.3n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (G1269S)


(Homo sapiens (Human))
BDBM261711
PNG
(US9708295, 53)
Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1
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115n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

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


(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
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n/an/a 0.640n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr


J Med Chem 59: 4948-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00306
BindingDB Entry DOI: 10.7270/Q2NK3H0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS


(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
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n/an/a 0.700n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin)


Eur J Med Chem 90: 195-208 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.023
BindingDB Entry DOI: 10.7270/Q2M61MX6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 0.780n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET using biotinylated-poly(GT) peptide as substrate after 60 mins


Bioorg Med Chem Lett 21: 4592-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.103
BindingDB Entry DOI: 10.7270/Q2N87B4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AXL receptor tyrosine kinase


(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
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of AXL in human HEK293 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKA


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
SRC


(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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK in human Jurkat cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem 21: 6804-20 (2013)


Article DOI: 10.1016/j.bmc.2013.07.032
BindingDB Entry DOI: 10.7270/Q27P90TV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (C1156Y)


(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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (C1156Y)


(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
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (F1174L)


(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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Eur J Med Chem 108: 322-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.042
BindingDB Entry DOI: 10.7270/Q2DJ5HG7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (R1275Q)


(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=1S/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-/m1/s1
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n/an/a 1.5n/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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met incubated for 60 mins at spectrophotometry


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKB


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(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
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n/an/a>2n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase (unknown origin) after 60 mins by ELISA


J Med Chem 58: 197-211 (2015)


Article DOI: 10.1021/jm5005144
BindingDB Entry DOI: 10.7270/Q2FB54MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(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
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n/an/a 2.10n/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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified recombinant c-MET (unknown origin) after 60 mins by ELISA


Citation and Details

Article DOI: 10.1021/ml400373j
BindingDB Entry DOI: 10.7270/Q2CN75F4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 2.40n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor (F1174L)


(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
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n/an/a 2.70n/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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (R1275Q)


(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
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n/an/a 2.90n/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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(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
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TIE2


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(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
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n/an/a 6.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 7.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method


Eur J Med Chem 95: 302-12 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.041
BindingDB Entry DOI: 10.7270/Q2GQ70G4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anaplastic lymphoma kinase C1156Y (ALK C1156Y)


(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
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n/an/a 7.67n/an/an/an/a7.525



Tianjin University of Science and Technology



Assay Description
The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H...


Bioorg Chem 65: 146-58 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2VT1QVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 8n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as inhibition of HGF-induced autophosphorylation by ELISA method


J Med Chem 54: 6342-63 (2011)


Article DOI: 10.1021/jm2007613
BindingDB Entry DOI: 10.7270/Q2Q52Q09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 8n/an/an/an/an/an/a



Chugai Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met by TR-FRET assay


Bioorg Med Chem Lett 20: 1405-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.109
BindingDB Entry DOI: 10.7270/Q2HQ401G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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
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n/an/a 8n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of c-Met by cellular assay


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(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=1S/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-/m1/s1
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n/an/a 8.90n/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)


BindingDB Entry DOI: 10.7270/Q2JQ0ZT5
More data for this
Ligand-Target Pair
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