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PubMed code 16870432

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241083
PNG
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422940
PNG
(CHEMBL213008)
Show SMILES COc1ccc(cc1)-c1cc2ncn(-c3ccc(OCCN4CCCC4)c(OC)c3)c(=O)c2s1
Show InChI InChI=1S/C26H27N3O4S/c1-31-20-8-5-18(6-9-20)24-16-21-25(34-24)26(30)29(17-27-21)19-7-10-22(23(15-19)32-2)33-14-13-28-11-3-4-12-28/h5-10,15-17H,3-4,11-14H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422936
PNG
(CHEMBL212657)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422927
PNG
(CHEMBL441368)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H23Cl2N3O3S/c1-32-22-13-17(5-7-21(22)33-11-10-29-8-2-3-9-29)30-15-28-20-14-23(34-24(20)25(30)31)16-4-6-18(26)19(27)12-16/h4-7,12-15H,2-3,8-11H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422930
PNG
(CHEMBL214276)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3S/c1-30-22-15-19(9-10-21(22)31-14-13-27-11-5-6-12-27)28-17-26-20-16-23(32-24(20)25(28)29)18-7-3-2-4-8-18/h2-4,7-10,15-17H,5-6,11-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422924
PNG
(CHEMBL214416)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N3O3S/c1-34-22-14-19(8-9-21(22)35-13-12-31-10-2-3-11-31)32-16-30-20-15-23(36-24(20)25(32)33)17-4-6-18(7-5-17)26(27,28)29/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422926
PNG
(CHEMBL215565)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2nc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN4O3S/c1-31-20-14-18(8-9-19(20)32-13-12-28-10-2-3-11-28)29-15-26-22-21(24(29)30)33-23(27-22)16-4-6-17(25)7-5-16/h4-9,14-15H,2-3,10-13H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422932
PNG
(CHEMBL212958)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H24N4O5S/c1-33-22-14-19(8-9-21(22)34-13-12-27-10-2-3-11-27)28-16-26-20-15-23(35-24(20)25(28)30)17-4-6-18(7-5-17)29(31)32/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422939
PNG
(CHEMBL439146)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-17(8-9-21(22)32-13-12-28-10-4-5-11-28)29-16-27-20-15-23(33-24(20)25(29)30)18-6-2-3-7-19(18)26/h2-3,6-9,14-16H,4-5,10-13H2,1H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422922
PNG
(CHEMBL384113)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O3/c1-33-26-17-22(9-11-25(26)34-15-14-30-12-2-3-13-30)31-18-29-24-16-20(6-10-23(24)27(31)32)19-4-7-21(28)8-5-19/h4-11,16-18H,2-3,12-15H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422933
PNG
(CHEMBL212137)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(7-8-21(22)32-12-11-28-9-2-3-10-28)29-16-27-20-15-23(33-24(20)25(29)30)17-5-4-6-18(26)13-17/h4-8,13-16H,2-3,9-12H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422938
PNG
(CHEMBL215862)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C25H26N4O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13,26H2,1H3
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422921
PNG
(CHEMBL214429)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24N4O3S/c1-32-23-14-20(8-9-22(23)33-13-12-29-10-2-3-11-29)30-17-28-21-15-24(34-25(21)26(30)31)19-6-4-18(16-27)5-7-19/h4-9,14-15,17H,2-3,10-13H2,1H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422935
PNG
(CHEMBL215334)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccc(I)c1
Show InChI InChI=1S/C25H24IN3O3S/c1-31-22-14-19(7-8-21(22)32-12-11-28-9-2-3-10-28)29-16-27-20-15-23(33-24(20)25(29)30)17-5-4-6-18(26)13-17/h4-8,13-16H,2-3,9-12H2,1H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422929
PNG
(CHEMBL212883)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccsc1
Show InChI InChI=1S/C23H23N3O3S2/c1-28-20-12-17(4-5-19(20)29-10-9-25-7-2-3-8-25)26-15-24-18-13-21(16-6-11-30-14-16)31-22(18)23(26)27/h4-6,11-15H,2-3,7-10H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422923
PNG
(CHEMBL387195)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccs1
Show InChI InChI=1S/C23H23N3O3S2/c1-28-19-13-16(6-7-18(19)29-11-10-25-8-2-3-9-25)26-15-24-17-14-21(20-5-4-12-30-20)31-22(17)23(26)27/h4-7,12-15H,2-3,8-11H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422928
PNG
(CHEMBL214427)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(oc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O4/c1-31-23-14-19(8-9-21(23)32-13-12-28-10-2-3-11-28)29-16-27-20-15-22(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422941
PNG
(CHEMBL213154)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccncc1
Show InChI InChI=1S/C24H24N4O3S/c1-30-21-14-18(4-5-20(21)31-13-12-27-10-2-3-11-27)28-16-26-19-15-22(32-23(19)24(28)29)17-6-8-25-9-7-17/h4-9,14-16H,2-3,10-13H2,1H3
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422931
PNG
(CHEMBL266415)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H27N3O5S2/c1-33-23-15-19(7-10-22(23)34-14-13-28-11-3-4-12-28)29-17-27-21-16-24(35-25(21)26(29)30)18-5-8-20(9-6-18)36(2,31)32/h5-10,15-17H,3-4,11-14H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422925
PNG
(CHEMBL212963)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1cccnc1
Show InChI InChI=1S/C24H24N4O3S/c1-30-21-13-18(6-7-20(21)31-12-11-27-9-2-3-10-27)28-16-26-19-14-22(32-23(19)24(28)29)17-5-4-8-25-15-17/h4-8,13-16H,2-3,9-12H2,1H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422937
PNG
(CHEMBL377758)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C27H28N4O4S/c1-18(32)29-20-7-5-19(6-8-20)25-16-22-26(36-25)27(33)31(17-28-22)21-9-10-23(24(15-21)34-2)35-14-13-30-11-3-4-12-30/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,32)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422934
PNG
(CHEMBL424723)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2ccsc2c1=O
Show InChI InChI=1S/C19H21N3O3S/c1-24-17-12-14(22-13-20-15-6-11-26-18(15)19(22)23)4-5-16(17)25-10-9-21-7-2-3-8-21/h4-6,11-13H,2-3,7-10H2,1H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 4723-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.008
BindingDB Entry DOI: 10.7270/Q24B32MB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%