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95 molecules are shown

Wt: 358.4
BDBM50113118Purchase		Wt: 358.4
BDBM50113126Purchase		Wt: 372.4
BDBM50113130Purchase		Wt: 337.4
BDBM50113131Purchase		Wt: 386.5
BDBM50113138Purchase
Wt: 324.4
BDBM50113144Purchase		Wt: 201.2
BDBM50121347Purchase		Wt: 342.4
BDBM50228108Purchase		Wt: 368.4
BDBM50228105Purchase		Wt: 323.4
BDBM50228106Purchase
Wt: 265.3
BDBM50228100Purchase		Wt: 258.3
BDBM50228089Purchase		Wt: 251.3
BDBM50228090Purchase		Wt: 311.3
BDBM50228091Purchase		Wt: 359.3
BDBM50228092Purchase
<<  First   |  Previous   |  Displayed 16 to 30 (of 95 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50113118,50113126,50113130,50113131,50113138,50113144,50121347,50228108,50228105,50228106,50228100,50228089,50228090,50228091,50228092   
Target/Host
(Institution)		LigandTarget/Host
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
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113130
PNG
(1-Benzenesulfonyl-piperidine-2-carboxylic acid phe...)
Show SMILES O=C(NCCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O3S/c23-20(21-15-14-17-9-3-1-4-10-17)19-13-7-8-16-22(19)26(24,25)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23)
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 1.50E+3n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113126
PNG
(1-Benzenesulfonyl-piperidine-2-carboxylic acid ben...)
Show SMILES O=C(NCc1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c22-19(20-15-16-9-3-1-4-10-16)18-13-7-8-14-21(18)25(23,24)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,20,22)
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 2.50E+3n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113144
PNG
(1-Benzenesulfonyl-piperidine-2-carboxylic acid but...)
Show SMILES CCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H24N2O3S/c1-2-3-12-17-16(19)15-11-7-8-13-18(15)22(20,21)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3,(H,17,19)
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 4.70E+3n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113138
PNG
(1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-17-11-13-19(14-12-17)27(25,26)23-16-6-10-20(23)21(24)22-15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-16H2,1H3,(H,22,24)
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 7.60E+3n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113131
PNG
(CHEMBL33413 | Pyrrolidine-1,2-dicarboxylic acid 2-...)
Show SMILES O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H23N3O2/c24-19(21-14-13-16-8-3-1-4-9-16)18-12-7-15-23(18)20(25)22-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,25)
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 3.00E+4n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113118
PNG
(1-Benzenesulfonyl-pyrrolidine-2-carboxylic acid ph...)
Show SMILES O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c22-19(20-14-13-16-8-3-1-4-9-16)18-12-7-15-21(18)25(23,24)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,20,22)
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 3.70E+4n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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 2.45E+5n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9

J Med Chem 47: 907-14 (2004)


Article DOI: 10.1021/jm030972s
BindingDB Entry DOI: 10.7270/Q2ZK5HF3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228106
PNG
(4-(2-(4-isopropylphenylthio)acetyl)morpholine-3-ca...)
Show SMILES CC(C)c1ccc(SCC(=O)N2CCOCC2C(O)=O)cc1 |w:16.17|
Show InChI InChI=1S/C16H21NO4S/c1-11(2)12-3-5-13(6-4-12)22-10-15(18)17-7-8-21-9-14(17)16(19)20/h3-6,11,14H,7-10H2,1-2H3,(H,19,20)
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n/an/an/a 4.26E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228105
PNG
(2-(2-methyl-4-(pyrrolidin-1-ylsulfonyl)phenoxy)-1-...)
Show SMILES Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H24N2O5S/c1-14-12-15(25(21,22)19-6-2-3-7-19)4-5-16(14)24-13-17(20)18-8-10-23-11-9-18/h4-5,12H,2-3,6-11,13H2,1H3
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n/an/an/a 5.76E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228108
PNG
(CHEMBL235927 | N-isopropyl-4-(2-morpholino-2-oxoet...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C15H22N2O5S/c1-12(2)16-23(19,20)14-5-3-13(4-6-14)22-11-15(18)17-7-9-21-10-8-17/h3-6,12,16H,7-11H2,1-2H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/an/a 6.00E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Co2+

J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/an/an/a>2.50E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Zn2+

J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Mn2+

J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay

J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 4.78E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP1

Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 4.47E+4n/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells

Bioorg Med Chem Lett 20: 4038-44 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.093
BindingDB Entry DOI: 10.7270/Q2RF5W0K
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 5.60E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...

Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228091
PNG
(2-(4'-methyl-biphenyl-4-yloxy)-1-morpholin-4-yl-et...)
Show SMILES Cc1ccc(cc1)-c1ccc(OCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H21NO3/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)23-14-19(21)20-10-12-22-13-11-20/h2-9H,10-14H2,1H3
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n/an/an/a 7.55E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228092
PNG
(1-(3-(trifluoromethyl)benzyl)-2-(thiazol-4-yl)-1H-...)
Show SMILES FC(F)(F)c1cccc(Cn2c(nc3ccccc23)-c2cscn2)c1
Show InChI InChI=1S/C18H12F3N3S/c19-18(20,21)13-5-3-4-12(8-13)9-24-16-7-2-1-6-14(16)23-17(24)15-10-25-11-22-15/h1-8,10-11H,9H2
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n/an/an/a>3.00E+6n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228090
PNG
(1-morpholino-2-(p-tolylthio)ethanone | CHEMBL23638...)
Show SMILES Cc1ccc(SCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C13H17NO2S/c1-11-2-4-12(5-3-11)17-10-13(15)14-6-8-16-9-7-14/h2-5H,6-10H2,1H3
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n/an/an/a 1.50E+4n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228089
PNG
(CHEMBL393271 | N-(4-fluorophenyl)piperidine-1-sulf...)
Show SMILES Fc1ccc(NS(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C11H15FN2O2S/c12-10-4-6-11(7-5-10)13-17(15,16)14-8-2-1-3-9-14/h4-7,13H,1-3,8-9H2
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n/an/an/a 3.19E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair
Methionine aminopeptidase


(Escherichia coli (strain K12))		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 472n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli

J Med Chem 49: 511-22 (2006)


Article DOI: 10.1021/jm050476z
BindingDB Entry DOI: 10.7270/Q2N58KXD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50121347
PNG
(CHEMBL625 | THIABENDAZOLE)
Show SMILES c1nc(cs1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP

J Med Chem 45: 5410-3 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4Q9K
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50228100
PNG
(1-(2,6-dimethylmorpholino)-2-(phenylthio)ethanone ...)
Show SMILES CC1CN(CC(C)O1)C(=O)CSc1ccccc1 |w:1.0,5.5|
Show InChI InChI=1S/C14H19NO2S/c1-11-8-15(9-12(2)17-11)14(16)10-18-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
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n/an/an/a 7.26E+5n/an/an/an/an/a



and University of California at San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry

J Med Chem 50: 6607-17 (2007)


Article DOI: 10.1021/jm0707424
BindingDB Entry DOI: 10.7270/Q2TT4QPH
More data for this
Ligand-Target Pair