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Compile Data Set for Download or QSAR

Found 20 hits of ki data for polymerid = 50000868   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064266
PNG
(CHEMBL43719 | HEPTYLFORMAMIDE | N-Heptyl-formamide)
Show SMILES CCCCCCCNC=O
Show InChI InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
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PubMed
740n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064288
PNG
(CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...)
Show SMILES O=CNCc1ccccc1
Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
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1.10E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064275
PNG
(CHEMBL297216 | N-Propyl-formamide)
Show SMILES CCCNC=O
Show InChI InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)
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2.10E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064280
PNG
(CHEMBL295789 | N-Cyclopentyl-formamide)
Show SMILES O=CNC1CCCC1
Show InChI InChI=1S/C6H11NO/c8-5-7-6-3-1-2-4-6/h5-6H,1-4H2,(H,7,8)
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2.80E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064269
PNG
(CHEMBL45466 | N-Butyl-formamide)
Show SMILES CCCCNC=O
Show InChI InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h5H,2-4H2,1H3,(H,6,7)
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3.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064270
PNG
(CHEMBL291214 | N-Cyclohexylmethyl-formamide)
Show SMILES O=CNCC1CCCCC1
Show InChI InChI=1S/C8H15NO/c10-7-9-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,9,10)
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4.70E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064283
PNG
(CHEMBL49774 | N-Cyclobutyl-formamide)
Show SMILES O=CNC1CCC1
Show InChI InChI=1S/C5H9NO/c7-4-6-5-2-1-3-5/h4-5H,1-3H2,(H,6,7)
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5.40E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibitory activity against human alcohol dehydrogenase sigma.


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064274
PNG
(CHEMBL48122 | N-(1-Methyl-heptyl)-formamide)
Show SMILES CCCCCCC(C)NC=O
Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
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1.00E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064279
PNG
(CHEMBL299094 | N-Isobutyl-formamide)
Show SMILES CC(C)CNC=O
Show InChI InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
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1.80E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064272
PNG
(CHEMBL296027 | N-Isopropyl-formamide)
Show SMILES CC(C)NC=O
Show InChI InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)
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2.10E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064284
PNG
(CHEMBL49963 | N-Cyclopropyl-formamide)
Show SMILES O=CNC1CC1
Show InChI InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)
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3.00E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064278
PNG
(CHEMBL46778 | N-Cyclohexylformamid | N-Zyklohexylf...)
Show SMILES O=CNC1CCCCC1
Show InChI InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
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3.80E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064285
PNG
(CHEMBL294911 | N-Cyclohexyl-N-cyclopropyl-formamid...)
Show SMILES O=CN(C1CC1)C1CCCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h8-10H,1-7H2
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6.40E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064271
PNG
(CHEMBL45704 | N-Cyclopentyl-N-cyclopropyl-formamid...)
Show SMILES O=CN(C1CC1)C1CCCC1
Show InChI InChI=1S/C9H15NO/c11-7-10(9-5-6-9)8-3-1-2-4-8/h7-9H,1-6H2
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9.30E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064287
PNG
(CHEMBL46655 | N-Cyclopropyl-N-heptyl-formamide)
Show SMILES CCCCCCCN(C=O)C1CC1
Show InChI InChI=1S/C11H21NO/c1-2-3-4-5-6-9-12(10-13)11-7-8-11/h10-11H,2-9H2,1H3
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9.60E+5n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064286
PNG
(CHEMBL45844 | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | N...)
Show SMILES O=CN(C1CCC1)C1CCCC1
Show InChI InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
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1.10E+6n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064268
PNG
(CHEMBL44630 | N-Cyclohexyl-N-isopropyl-formamide)
Show SMILES CC(C)N(C=O)C1CCCCC1
Show InChI InChI=1S/C10H19NO/c1-9(2)11(8-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
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1.30E+6n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064282
PNG
(CHEMBL300291 | N-Cyclopentyl-N-propyl-formamide)
Show SMILES CCCN(C=O)C1CCCC1
Show InChI InChI=1S/C9H17NO/c1-2-7-10(8-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3
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1.70E+6n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064267
PNG
(CHEMBL297125 | N,N-Dicyclobutyl-formamide)
Show SMILES O=CN(C1CCC1)C1CCC1
Show InChI InChI=1S/C9H15NO/c11-7-10(8-3-1-4-8)9-5-2-6-9/h7-9H,1-6H2
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1.80E+6n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Homo sapiens)
BDBM50064277
PNG
(CHEMBL45705 | N-Cyclohexyl-N-methyl-formamide)
Show SMILES CN(C=O)C1CCCCC1
Show InChI InChI=1S/C8H15NO/c1-9(7-10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
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4.90E+6n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human alcohol dehydrogenase sigma activity


Citation and Details
More data for this
Ligand-Target Pair