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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 50001797   
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
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM50071516
PNG
(2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)
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PC sid
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human phosphomannose isomerase (PMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM50071531
PNG
(2-[4-(2,4-Dichloro-phenoxy)-butyrylamino]-indan-2-...)
Show SMILES NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O3/c21-15-7-8-17(16(22)10-15)27-9-3-6-18(25)24-20(19(23)26)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2,23,26)(H,24,25)
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PC sid
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PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of yeast phosphomannose isomerase (PMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM50071516
PNG
(2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...)
Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)
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PubMed
2.60E+4n/an/an/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition constant against phosphomannose isomerase enzyme of Candida albicans (CaPMI)


Bioorg Med Chem Lett 8: 2303-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8D2F
More data for this
Ligand-Target Pair