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4 similar compounds to monomer 50133712

Compile data set for download or QSAR
Wt: 458.5
BDBM50133716
Wt: 457.4
BDBM50133717
Wt: 440.4
BDBM50133720
Wt: 440.4
BDBM50133722

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50133716,50133717,50133720,50133722   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133716
PNG
(CHEMBL118115 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES CN(C)CCOC(=O)NCc1cccc(c1)-c1cnc(Nc2ccc3c(cn(C)c3c2)C#N)o1
Show InChI InChI=1S/C25H26N6O3/c1-30(2)9-10-33-25(32)28-14-17-5-4-6-18(11-17)23-15-27-24(34-23)29-20-7-8-21-19(13-26)16-31(3)22(21)12-20/h4-8,11-12,15-16H,9-10,14H2,1-3H3,(H,27,29)(H,28,32)
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133720
PNG
(CHEMBL118260 | {3-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3cccc(CNC(=O)OCCC#N)c3)cc12
Show InChI InChI=1S/C24H20N6O3/c1-30-15-18(12-26)20-7-6-19(11-21(20)30)29-23-27-14-22(33-23)17-5-2-4-16(10-17)13-28-24(31)32-9-3-8-25/h2,4-7,10-11,14-15H,3,9,13H2,1H3,(H,27,29)(H,28,31)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133717
PNG
(CHEMBL118384 | {2-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3CNC(=O)OC3CCOC3)cc12
Show InChI InChI=1S/C25H23N5O4/c1-30-14-17(11-26)20-7-6-18(10-22(20)30)29-24-27-13-23(34-24)21-5-3-2-4-16(21)12-28-25(31)33-19-8-9-32-15-19/h2-7,10,13-14,19H,8-9,12,15H2,1H3,(H,27,29)(H,28,31)
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PubMed
n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133722
PNG
(CHEMBL118983 | {2-[2-(3-Cyano-1-methyl-1H-indol-6-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccccc3CNC(=O)OCCC#N)cc12
Show InChI InChI=1S/C24H20N6O3/c1-30-15-17(12-26)19-8-7-18(11-21(19)30)29-23-27-14-22(33-23)20-6-3-2-5-16(20)13-28-24(31)32-10-4-9-25/h2-3,5-8,11,14-15H,4,10,13H2,1H3,(H,27,29)(H,28,31)
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair