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PubMed code 16483773

Compile data set for download or QSAR
Found 24 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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182922
PNG
(1-(benzyloxy)-3-(3-(pyridin-4-yl)-1H-indol-6-yl)ur...)
Show SMILES O=C(NOCc1ccccc1)Nc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26)
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n/an/a 76n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182920
PNG
(1-methyl-1-phenyl-3-(3-(pyridin-4-yl)-1H-indol-6-y...)
Show SMILES CN(C(=O)Nc1ccc2c(c[nH]c2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-25(17-5-3-2-4-6-17)21(26)24-16-7-8-18-19(14-23-20(18)13-16)15-9-11-22-12-10-15/h2-14,23H,1H3,(H,24,26)
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n/an/a 84n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182927
PNG
(1-methyl-3-(2-methyl-3-(pyridin-4-yl)-1H-indol-6-y...)
Show SMILES CN(C(=O)Nc1ccc2c(c(C)[nH]c2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C22H20N4O/c1-15-21(16-10-12-23-13-11-16)19-9-8-17(14-20(19)24-15)25-22(27)26(2)18-6-4-3-5-7-18/h3-14,24H,1-2H3,(H,25,27)
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n/an/a 128n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182935
PNG
(CHEMBL379524 | N-(2-methyl-3-(pyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc2c1-c1ccncc1
Show InChI InChI=1S/C20H17N3O2S/c1-14-20(15-9-11-21-12-10-15)18-8-7-16(13-19(18)22-14)23-26(24,25)17-5-3-2-4-6-17/h2-13,22-23H,1H3
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n/an/a 222n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182925
PNG
(CHEMBL380132 | N-(3-(pyridin-4-yl)-1H-indol-6-yl)b...)
Show SMILES O=S(=O)(Nc1ccc2c(c[nH]c2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c23-25(24,16-4-2-1-3-5-16)22-15-6-7-17-18(13-21-19(17)12-15)14-8-10-20-11-9-14/h1-13,21-22H
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n/an/a 364n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182921
PNG
(6-phenyl-3-(pyridin-4-yl)-1H-indole | CHEMBL207621)
Show SMILES c1[nH]c2cc(ccc2c1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2/c1-2-4-14(5-3-1)16-6-7-17-18(13-21-19(17)12-16)15-8-10-20-11-9-15/h1-13,21H
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n/an/a 456n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182919
PNG
(CHEMBL208261 | ethyl 3-(pyridin-4-yl)-1H-indole-6-...)
Show SMILES CCOC(=O)c1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C16H14N2O2/c1-2-20-16(19)12-3-4-13-14(10-18-15(13)9-12)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
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n/an/a 586n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50133727
PNG
(1-(3-Cyano-1-methyl-1H-indol-6-yl)-3-phenyl-urea |...)
Show SMILES Cn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
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n/an/a 722n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182931
PNG
(1-methoxy-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea |...)
Show SMILES CONC(=O)Nc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C15H14N4O2/c1-21-19-15(20)18-11-2-3-12-13(9-17-14(12)8-11)10-4-6-16-7-5-10/h2-9,17H,1H3,(H2,18,19,20)
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n/an/a 1.11E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182878
PNG
(3-(pyridin-4-yl)-1H-indole | CHEMBL380071 | cid_64...)
Show SMILES c1[nH]c2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
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n/an/a 1.15E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182918
PNG
(1-(benzyloxy)-3-(3-cyano-1-methyl-1H-indol-6-yl)ur...)
Show SMILES Cn1cc(C#N)c2ccc(NC(=O)NOCc3ccccc3)cc12
Show InChI InChI=1S/C18H16N4O2/c1-22-11-14(10-19)16-8-7-15(9-17(16)22)20-18(23)21-24-12-13-5-3-2-4-6-13/h2-9,11H,12H2,1H3,(H2,20,21,23)
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n/an/a 1.17E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182923
PNG
(1-(benzyloxy)-3-(3-(pyridin-4-yl)-1H-indol-7-yl)ur...)
Show SMILES O=C(NOCc1ccccc1)Nc1cccc2c(c[nH]c12)-c1ccncc1
Show InChI InChI=1S/C21H18N4O2/c26-21(25-27-14-15-5-2-1-3-6-15)24-19-8-4-7-17-18(13-23-20(17)19)16-9-11-22-12-10-16/h1-13,23H,14H2,(H2,24,25,26)
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n/an/a 1.36E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182916
PNG
(1-methyl-6-({[(methylamino)oxy]carbonyl}amino)-1H-...)
Show SMILES CNOC(=O)Nc1ccc2c(cn(C)c2c1)C#N
Show InChI InChI=1S/C12H12N4O2/c1-14-18-12(17)15-9-3-4-10-8(6-13)7-16(2)11(10)5-9/h3-5,7,14H,1-2H3,(H,15,17)
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n/an/a 4.04E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182934
PNG
(CHEMBL377529 | N-(3-(pyridin-4-yl)-1H-indol-7-yl)b...)
Show SMILES O=S(=O)(Nc1cccc2c(c[nH]c12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c23-25(24,15-5-2-1-3-6-15)22-18-8-4-7-16-17(13-21-19(16)18)14-9-11-20-12-10-14/h1-13,21-22H
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n/an/a 6.21E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182877
PNG
(1-methyl-1H-indole-3-carbonitrile | CHEMBL205035)
Show SMILES Cn1cc(C#N)c2ccccc12
Show InChI InChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
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n/an/a 7.66E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182928
PNG
(CHEMBL205236 | N-(3-cyano-1-methyl-1H-indol-6-yl)b...)
Show SMILES Cn1cc(C#N)c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C16H13N3O2S/c1-19-11-12(10-17)15-8-7-13(9-16(15)19)18-22(20,21)14-5-3-2-4-6-14/h2-9,11,18H,1H3
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n/an/a 7.68E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182930
PNG
(3-(3-cyano-1-methyl-1H-indol-7-yl)-1-methyl-1-phen...)
Show SMILES CN(C(=O)Nc1cccc2c(cn(C)c12)C#N)c1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-21-12-13(11-19)15-9-6-10-16(17(15)21)20-18(23)22(2)14-7-4-3-5-8-14/h3-10,12H,1-2H3,(H,20,23)
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n/an/a 7.85E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182917
PNG
(3-(3-cyano-1H-indol-6-yl)-1-methyl-1-phenylurea | ...)
Show SMILES CN(C(=O)Nc1ccc2c(c[nH]c2c1)C#N)c1ccccc1
Show InChI InChI=1S/C17H14N4O/c1-21(14-5-3-2-4-6-14)17(22)20-13-7-8-15-12(10-18)11-19-16(15)9-13/h2-9,11,19H,1H3,(H,20,22)
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n/an/a 1.54E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182932
PNG
(3-(3-cyano-1-methyl-1H-indol-6-yl)-1-methyl-1-phen...)
Show SMILES CN(C(=O)Nc1ccc2c(cn(C)c2c1)C#N)c1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-21-12-13(11-19)16-9-8-14(10-17(16)21)20-18(23)22(2)15-6-4-3-5-7-15/h3-10,12H,1-2H3,(H,20,23)
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n/an/a 1.70E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182929
PNG
(1-methyl-1-phenyl-3-(3-(pyridin-4-yl)-1H-indol-7-y...)
Show SMILES CN(C(=O)Nc1cccc2c(c[nH]c12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O/c1-25(16-6-3-2-4-7-16)21(26)24-19-9-5-8-17-18(14-23-20(17)19)15-10-12-22-13-11-15/h2-14,23H,1H3,(H,24,26)
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n/an/a 1.95E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50127708
PNG
((1H)-indole-3-carbonitrile | 1H-Indole-3-carbonitr...)
Show SMILES N#Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
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n/an/a 2.09E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182926
PNG
(CHEMBL378273 | N-(3-cyano-1-methyl-1H-indol-6-yl)(...)
Show SMILES Cn1cc(C#N)c2ccc(NS(=O)(=O)Cc3ccccc3)cc12
Show InChI InChI=1S/C17H15N3O2S/c1-20-11-14(10-18)16-8-7-15(9-17(16)20)19-23(21,22)12-13-5-3-2-4-6-13/h2-9,11,19H,12H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182933
PNG
(7-(benzo[d]oxazol-2-ylamino)-1-methyl-1H-indole-3-...)
Show SMILES Cn1cc(C#N)c2cccc(Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C17H12N4O/c1-21-10-11(9-18)12-5-4-7-14(16(12)21)20-17-19-13-6-2-3-8-15(13)22-17/h2-8,10H,1H3,(H,19,20)
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n/an/a 5.84E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182924
PNG
(6-(benzyloxy)-1H-indole-3-carbonitrile | CHEMBL377...)
Show SMILES N#Cc1c[nH]c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C16H12N2O/c17-9-13-10-18-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-8,10,18H,11H2
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n/an/a 7.18E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%