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PubMed code 12657279

Compile data set for download or QSAR
Found 25 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))		BDBM50126275
PNG
(CHEMBL280793 | Isoquinolin-6-yl-(5-phenyl-oxazol-2...)
Show SMILES N(c1ncc(o1)-c1ccccc1)c1ccc2cnccc2c1
Show InChI InChI=1S/C18H13N3O/c1-2-4-13(5-3-1)17-12-20-18(22-17)21-16-7-6-15-11-19-9-8-14(15)10-16/h1-12H,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126276
PNG
(1-Isoquinolin-6-yl-3-m-tolyl-urea | CHEMBL27948)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3cnccc3c2)c1
Show InChI InChI=1S/C17H15N3O/c1-12-3-2-4-15(9-12)19-17(21)20-16-6-5-14-11-18-8-7-13(14)10-16/h2-11H,1H3,(H2,19,20,21)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126273
PNG
((5-Phenyl-oxazol-2-yl)-quinazolin-7-yl-amine | CHE...)
Show SMILES N(c1ncc(o1)-c1ccccc1)c1ccc2cncnc2c1
Show InChI InChI=1S/C17H12N4O/c1-2-4-12(5-3-1)16-10-19-17(22-16)21-14-7-6-13-9-18-11-20-15(13)8-14/h1-11H,(H,19,21)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126265
PNG
(1-Quinazolin-7-yl-3-m-tolyl-urea | CHEMBL26741)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3cncnc3c2)c1
Show InChI InChI=1S/C16H14N4O/c1-11-3-2-4-13(7-11)19-16(21)20-14-6-5-12-9-17-10-18-15(12)8-14/h2-10H,1H3,(H2,19,20,21)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126283
PNG
(1-Isoquinolin-6-yl-3-p-tolyl-urea | CHEMBL29927)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3cnccc3c2)cc1
Show InChI InChI=1S/C17H15N3O/c1-12-2-5-15(6-3-12)19-17(21)20-16-7-4-14-11-18-9-8-13(14)10-16/h2-11H,1H3,(H2,19,20,21)
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n/an/a 247n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126285
PNG
(1-Benzyl-3-isoquinolin-6-yl-urea | CHEMBL29926)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C17H15N3O/c21-17(19-11-13-4-2-1-3-5-13)20-16-7-6-15-12-18-9-8-14(15)10-16/h1-10,12H,11H2,(H2,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126284
PNG
(5-Bromo-isoquinolin-6-ylamine | CHEMBL27011)
Show SMILES Nc1ccc2cnccc2c1Br
Show InChI InChI=1S/C9H7BrN2/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H,11H2
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n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126282
PNG
(1-(5-Bromo-isoquinolin-6-yl)-3-phenyl-urea | CHEMB...)
Show SMILES Brc1c(NC(=O)Nc2ccccc2)ccc2cnccc12
Show InChI InChI=1S/C16H12BrN3O/c17-15-13-8-9-18-10-11(13)6-7-14(15)20-16(21)19-12-4-2-1-3-5-12/h1-10H,(H2,19,20,21)
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n/an/a 740n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126268
PNG
(1-Isoquinolin-6-yl-3-phenyl-urea | CHEMBL27529)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C16H13N3O/c20-16(18-14-4-2-1-3-5-14)19-15-7-6-13-11-17-9-8-12(13)10-15/h1-11H,(H2,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126270
PNG
(5-Vinyl-isoquinolin-6-ylamine | CHEMBL26155)
Show SMILES Nc1ccc2cnccc2c1C=C
Show InChI InChI=1S/C11H10N2/c1-2-9-10-5-6-13-7-8(10)3-4-11(9)12/h2-7H,1,12H2
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n/an/a 820n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126287
PNG
(5-Chloro-isoquinolin-6-ylamine | CHEMBL416020)
Show SMILES Nc1ccc2cnccc2c1Cl
Show InChI InChI=1S/C9H7ClN2/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H,11H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126288
PNG
(1-(5-Chloro-isoquinolin-6-yl)-3-phenyl-urea | CHEM...)
Show SMILES Clc1c(NC(=O)Nc2ccccc2)ccc2cnccc12
Show InChI InChI=1S/C16H12ClN3O/c17-15-13-8-9-18-10-11(13)6-7-14(15)20-16(21)19-12-4-2-1-3-5-12/h1-10H,(H2,19,20,21)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126280
PNG
(1-Cinnolin-6-yl-3-m-tolyl-urea | CHEMBL26025)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3nnccc3c2)c1
Show InChI InChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)18-16(21)19-14-5-6-15-12(10-14)7-8-17-20-15/h2-10H,1H3,(H2,18,19,21)
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n/an/a>1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126278
PNG
(5-Allyl-isoquinolin-6-ylamine | CHEMBL282102)
Show SMILES Nc1ccc2cnccc2c1CC=C
Show InChI InChI=1S/C12H12N2/c1-2-3-11-10-6-7-14-8-9(10)4-5-12(11)13/h2,4-8H,1,3,13H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126277
PNG
(1-Isoquinolin-6-yl-3-o-tolyl-urea | CHEMBL27528)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C17H15N3O/c1-12-4-2-3-5-16(12)20-17(21)19-15-7-6-14-11-18-9-8-13(14)10-15/h2-11H,1H3,(H2,19,20,21)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126272
PNG
(1-Isoquinolin-7-yl-3-phenyl-urea | CHEMBL283016)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2ccncc2c1
Show InChI InChI=1S/C16H13N3O/c20-16(18-14-4-2-1-3-5-14)19-15-7-6-12-8-9-17-11-13(12)10-15/h1-11H,(H2,18,19,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126286
PNG
(5-Bromo-6-methoxy-isoquinoline | CHEMBL26259)
Show SMILES COc1ccc2cnccc2c1Br
Show InChI InChI=1S/C10H8BrNO/c1-13-9-3-2-7-6-12-5-4-8(7)10(9)11/h2-6H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126281
PNG
(CHEMBL28687 | Isoquinolin-6-ylamine)
Show SMILES Nc1ccc2cnccc2c1
Show InChI InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126279
PNG
(CHEMBL285116 | N-Isoquinolin-6-yl-acetamide)
Show SMILES CC(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C11H10N2O/c1-8(14)13-11-3-2-10-7-12-5-4-9(10)6-11/h2-7H,1H3,(H,13,14)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126267
PNG
(CHEMBL29480 | N-(5-Bromo-isoquinolin-6-yl)-acetami...)
Show SMILES CC(=O)Nc1ccc2cnccc2c1Br
Show InChI InChI=1S/C11H9BrN2O/c1-7(15)14-10-3-2-8-6-13-5-4-9(8)11(10)12/h2-6H,1H3,(H,14,15)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126266
PNG
(5-Propyl-isoquinolin-6-ylamine | CHEMBL285794)
Show SMILES CCCc1c(N)ccc2cnccc12
Show InChI InChI=1S/C12H14N2/c1-2-3-11-10-6-7-14-8-9(10)4-5-12(11)13/h4-8H,2-3,13H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126271
PNG
(1-Phthalazin-6-yl-3-m-tolyl-urea | CHEMBL27189)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3cnncc3c2)c1
Show InChI InChI=1S/C16H14N4O/c1-11-3-2-4-14(7-11)19-16(21)20-15-6-5-12-9-17-18-10-13(12)8-15/h2-10H,1H3,(H2,19,20,21)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126264
PNG
(5-Methyl-isoquinolin-6-ylamine | CHEMBL284662)
Show SMILES Cc1c(N)ccc2cnccc12
Show InChI InChI=1S/C10H10N2/c1-7-9-4-5-12-6-8(9)2-3-10(7)11/h2-6H,11H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126274
PNG
(CHEMBL27753 | Isoquinoline-5,6-diamine)
Show SMILES Nc1ccc2cnccc2c1N
Show InChI InChI=1S/C9H9N3/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H,10-11H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50126269
PNG
(CHEMBL282997 | N-(5-Chloro-isoquinolin-6-yl)-aceta...)
Show SMILES CC(=O)Nc1ccc2cnccc2c1Cl
Show InChI InChI=1S/C11H9ClN2O/c1-7(15)14-10-3-2-8-6-13-5-4-9(8)11(10)12/h2-6H,1H3,(H,14,15)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)

Bioorg Med Chem Lett 13: 1345-8 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%