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Compile Data Set for Download or QSAR

Found 18 hits from CNRS UMR 6216   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 152n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 171n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 228n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 321n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359983
PNG
(CHEMBL1927769)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m1/s1
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n/an/a 559n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359984
PNG
(CHEMBL1927768)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 607n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359985
PNG
(CHEMBL1927772)
Show SMILES Fc1cc(F)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C32H24F2N4O2S/c33-23-14-21(15-24(34)18-23)17-30(39)36-26(16-20-6-2-1-3-7-20)31(40)35-25-12-10-22(11-13-25)27-19-38-28-8-4-5-9-29(28)41-32(38)37-27/h1-15,18-19,26H,16-17H2,(H,35,40)(H,36,39)/t26-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359986
PNG
(CHEMBL1927625)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c4CCCCc4sc3n2)c1
Show InChI InChI=1S/C34H34N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-5,8-9,12-18,21,28H,6-7,10-11,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 793n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 811n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359982
PNG
(CHEMBL1927771)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359984
PNG
(CHEMBL1927768)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50341636
PNG
((3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-MET...)
Show SMILES CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
Show InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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n/an/a 1.56E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359981
PNG
(CHEMBL1927770)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H24F6N4O2S/c35-33(36,37)23-14-21(15-24(18-23)34(38,39)40)17-30(45)42-26(16-20-6-2-1-3-7-20)31(46)41-25-12-10-22(11-13-25)27-19-44-28-8-4-5-9-29(28)47-32(44)43-27/h1-15,18-19,26H,16-17H2,(H,41,46)(H,42,45)/t26-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of TPR-fused MET-mediated mouse BA/F3 cell proliferation after 48 hrs by cell titre blue based spectrophotometry


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359985
PNG
(CHEMBL1927772)
Show SMILES Fc1cc(F)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C32H24F2N4O2S/c33-23-14-21(15-24(34)18-23)17-30(39)36-26(16-20-6-2-1-3-7-20)31(40)35-25-12-10-22(11-13-25)27-19-38-28-8-4-5-9-29(28)41-32(38)37-27/h1-15,18-19,26H,16-17H2,(H,35,40)(H,36,39)/t26-/m0/s1
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n/an/a 5.65E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359987
PNG
(CHEMBL1927778)
Show SMILES FC(F)(F)c1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(Br)ccc32)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H23BrF6N4O2S/c35-24-8-11-28-29(17-24)48-32-44-27(18-45(28)32)21-6-9-25(10-7-21)42-31(47)26(14-19-4-2-1-3-5-19)43-30(46)15-20-12-22(33(36,37)38)16-23(13-20)34(39,40)41/h1-13,16-18,26H,14-15H2,(H,42,47)(H,43,46)/t26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 2...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50359984
PNG
(CHEMBL1927768)
Show SMILES Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2ccccc32)c1
Show InChI InChI=1S/C34H30N4O2S/c1-22-16-23(2)18-25(17-22)20-32(39)36-28(19-24-8-4-3-5-9-24)33(40)35-27-14-12-26(13-15-27)29-21-38-30-10-6-7-11-31(30)41-34(38)37-29/h3-18,21,28H,19-20H2,1-2H3,(H,35,40)(H,36,39)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.73E+3n/an/an/an/an/an/a



CNRS UMR 6216

Curated by ChEMBL


Assay Description
Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar grow...


Eur J Med Chem 47: 239-54 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.051
BindingDB Entry DOI: 10.7270/Q2XK8FZT
More data for this
Ligand-Target Pair