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PubMed code 16483769

Compile data set for download or QSAR
Found 15 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))		BDBM50182885
PNG
(2-methyl-3-(pyridin-4-yl)-1H-indole | CHEMBL207501)
Show SMILES Cc1[nH]c2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C14H12N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-9,16H,1H3
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n/an/a 343n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182884
PNG
(6-bromo-3-(pyridin-4-yl)-1H-indole | CHEMBL206257)
Show SMILES Brc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C13H9BrN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-8,16H
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n/an/a 408n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182879
PNG
(2-methyl-3-(pyridin-4-yl)-1H-indol-6-amine | CHEMB...)
Show SMILES Cc1[nH]c2cc(N)ccc2c1-c1ccncc1
Show InChI InChI=1S/C14H13N3/c1-9-14(10-4-6-16-7-5-10)12-3-2-11(15)8-13(12)17-9/h2-8,17H,15H2,1H3
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n/an/a 419n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182881
PNG
(3-(pyridin-4-yl)-1H-indol-7-amine | CHEMBL207262)
Show SMILES Nc1cccc2c(c[nH]c12)-c1ccncc1
Show InChI InChI=1S/C13H11N3/c14-12-3-1-2-10-11(8-16-13(10)12)9-4-6-15-7-5-9/h1-8,16H,14H2
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n/an/a 524n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182874
PNG
(3-(pyridin-4-yl)-1H-indol-6-amine | CHEMBL207612)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C13H11N3/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-8,16H,14H2
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n/an/a 637n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
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: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182876
PNG
(3-(thiophen-3-yl)-1H-indol-6-amine | CHEMBL206475)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1ccsc1
Show InChI InChI=1S/C12H10N2S/c13-9-1-2-10-11(6-14-12(10)5-9)8-3-4-15-7-8/h1-7,14H,13H2
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n/an/a 2.32E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182886
PNG
(3-(furan-3-yl)-1H-indole | CHEMBL381132)
Show SMILES c1cc(co1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9NO/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8,13H
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n/an/a 5.84E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182882
PNG
(3-(furan-3-yl)-1-methyl-1H-indole | CHEMBL207375)
Show SMILES Cn1cc(-c2ccoc2)c2ccccc12
Show InChI InChI=1S/C13H11NO/c1-14-8-12(10-6-7-15-9-10)11-4-2-3-5-13(11)14/h2-9H,1H3
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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: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182875
PNG
(1-methyl-1H-indole-3-carbaldehyde | CHEMBL210779)
Show SMILES Cn1cc(C=O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
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n/an/a 6.84E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
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: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50127715
PNG
(3-Methoxy-4-oxazol-5-yl-phenylamine | 3-methoxy-4-...)
Show SMILES COc1cc(N)ccc1-c1cnco1
Show InChI InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
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: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182880
PNG
(CHEMBL147741 | indole-3-carboxaldehyde)
Show SMILES O=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
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n/an/a 2.27E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50182883
PNG
(3-(thiazol-5-yl)-1H-indol-6-amine | CHEMBL381184)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1cncs1
Show InChI InChI=1S/C11H9N3S/c12-7-1-2-8-9(4-14-10(8)3-7)11-5-13-6-15-11/h1-6,14H,12H2
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n/an/a 2.79E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2

Bioorg Med Chem Lett 16: 2535-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.089
BindingDB Entry DOI: 10.7270/Q2PN9570
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%