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14 similar compounds to monomer 16433

Compile data set for download or QSAR
Wt: 143.2
BDBM23432
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Wt: 171.2
BDBM23433
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Wt: 199.3
BDBM23434
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Wt: 115.1
BDBM36174
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Wt: 101.1
BDBM36182
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Wt: 298.4
BDBM69315
Wt: 228.3
BDBM50147581
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Wt: 256.4
BDBM50152850
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Wt: 129.1
BDBM50240408
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Wt: 284.4
BDBM50240485
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Wt: 242.3
BDBM50242348
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Wt: 172.1
BDBM50270010
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Wt: 144.1
BDBM50270022
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Wt: 480.8
BDBM50357391
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 23432,23433,23434,36174,36182,69315,50147581,50152850,50240408,50240485,50242348,50270010,50270022,50357391   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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336n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270022
PNG
(O2C(CH2)4CO2 dianion | adipate | adipate dianion |...)
Show SMILES [O-]C(=O)CCCCC([O-])=O
Show InChI InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
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410n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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670 -8.56n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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690 -8.54n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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802n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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3.06E+3 -7.64n/an/an/an/an/a8.230



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)


Article DOI: 10.1074/jbc.M113.514646
BindingDB Entry DOI: 10.7270/Q21835CT
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50240408
PNG
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
Show SMILES CCCCCCC([O-])=O
Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
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8.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50240408
PNG
(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
Show SMILES CCCCCCC([O-])=O
Show InChI InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
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1.67E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50270010
PNG
(octanedioate)
Show SMILES [O-]C(=O)CCCCCCC([O-])=O
Show InChI InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2
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3.41E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM36182
PNG
(CHEMBL509357 | pentanoate | valerate)
Show SMILES CCCCC([O-])=O
Show InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
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5.53E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA1)


(Flaveria bidentis (Coastal plain yellowtops))
BDBM36182
PNG
(CHEMBL509357 | pentanoate | valerate)
Show SMILES CCCCC([O-])=O
Show InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
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7.75E+4 -5.51n/an/an/an/an/a8.320



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.


J Enzyme Inhib Med Chem 29: 500-4 (2014)


Article DOI: 10.3109/14756366.2013.813942
BindingDB Entry DOI: 10.7270/Q2WD3ZGT
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM36182
PNG
(CHEMBL509357 | pentanoate | valerate)
Show SMILES CCCCC([O-])=O
Show InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
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9.40E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Nce103


Bioorg Med Chem 17: 2654-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
BDBM23432
PNG
(octanoate | octanoate, 1 | octanoic acid | octanoi...)
Show SMILES CCCCCCCC([O-])=O
Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
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2.36E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells


Biochim Biophys Acta 1590: 64-75 (2002)


Article DOI: 10.1016/s0167-4889(02)00187-8
BindingDB Entry DOI: 10.7270/Q2DZ09JW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM36182
PNG
(CHEMBL509357 | pentanoate | valerate)
Show SMILES CCCCC([O-])=O
Show InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
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2.57E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase2


Bioorg Med Chem 17: 2654-7 (2009)


Article DOI: 10.1016/j.bmc.2009.02.058
BindingDB Entry DOI: 10.7270/Q2TD9X8C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50270010
PNG
(octanedioate)
Show SMILES [O-]C(=O)CCCCCCC([O-])=O
Show InChI InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2
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1.13E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50270022
PNG
(O2C(CH2)4CO2 dianion | adipate | adipate dianion |...)
Show SMILES [O-]C(=O)CCCCC([O-])=O
Show InChI InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
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1.58E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 930n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/an/a 802n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


J Med Chem 49: 5013-7 (2006)


Article DOI: 10.1021/jm060360i
BindingDB Entry DOI: 10.7270/Q2TQ6157
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50357391
PNG
(CHEMBL1917282)
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins


Bioorg Med Chem Lett 21: 6833-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.023
BindingDB Entry DOI: 10.7270/Q2CJ8DW6
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50357391
PNG
(CHEMBL1917282)
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins


Bioorg Med Chem Lett 21: 6833-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.023
BindingDB Entry DOI: 10.7270/Q2CJ8DW6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/an/a 8.30E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/an/a 8.00E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


Article DOI: 10.1021/jm0200299
BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells


J Med Chem 49: 1754-65 (2006)


Article DOI: 10.1021/jm050585d
BindingDB Entry DOI: 10.7270/Q2J38TSW
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Intestinal fatty acid-binding protein (hIFABP)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against intestinal fatty acid binding protein(I-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50242348
PNG
(CHEMBL460025 | pentadecanoic acid)
Show SMILES CCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50242348
PNG
(CHEMBL460025 | pentadecanoic acid)
Show SMILES CCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)


Article DOI: 10.1021/np000620d
BindingDB Entry DOI: 10.7270/Q24J0DVJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69315
PNG
(6-ketostearic acid | 6-oxidanylideneoctadecanoic a...)
Show SMILES CCCCCCCCCCCCC(=O)CCCCC(O)=O
Show InChI InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23434
PNG
(dodecanoate | dodecanoate, 3)
Show SMILES CCCCCCCCCCCC([O-])=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1
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n/an/an/a 900n/an/an/a7.030



University of San Francisco



Assay Description
Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...


Bioorg Med Chem 15: 2617-23 (2007)


Article DOI: 10.1016/j.bmc.2007.01.044
BindingDB Entry DOI: 10.7270/Q2TT4P8Q
More data for this
Ligand-Target Pair
Toll-like receptor 2 (TLR2)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells


J Med Chem 49: 1754-65 (2006)


Article DOI: 10.1021/jm050585d
BindingDB Entry DOI: 10.7270/Q2J38TSW
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23432
PNG
(octanoate | octanoate, 1 | octanoic acid | octanoi...)
Show SMILES CCCCCCCC([O-])=O
Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
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n/an/an/a>1.00E+5n/an/an/a7.030



University of San Francisco



Assay Description
Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...


Bioorg Med Chem 15: 2617-23 (2007)


Article DOI: 10.1016/j.bmc.2007.01.044
BindingDB Entry DOI: 10.7270/Q2TT4P8Q
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23433
PNG
(decanoate | decanoate, 2)
Show SMILES CCCCCCCCCC([O-])=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1
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n/an/an/a 7.00E+3n/an/an/a7.030



University of San Francisco



Assay Description
Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...


Bioorg Med Chem 15: 2617-23 (2007)


Article DOI: 10.1016/j.bmc.2007.01.044
BindingDB Entry DOI: 10.7270/Q2TT4P8Q
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 23 hits for monomerid = 23432,23433,23434,36174,36182,69315,50147581,50152850,50240408,50240485,50242348,50270010,50270022,50357391
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.380.0498-3.422.486.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.45-0.306-3.152.536.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.36-0.121-3.232.466.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.39-0.249-3.142.496.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM23432
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-4.620.285-4.903.396.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM23432
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-4.660.121-4.783.426.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM23432
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-4.540.313-4.853.336.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM4
JPEG
BDBM23432
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-4.620.0498-4.663.396.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36182
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-1.27-3.151.890.9196.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36174
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.28-3.591.311.676.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM50240408
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-3.39-3.810.4182.486.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM36182
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-2.590.157-2.751.906.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.380.0214-3.402.486.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-3.990.199-4.192.936.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM23432
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-4.620.271-4.893.396.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.36-0.749-2.622.556.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.360.0926-3.462.466.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.380.707-4.072.406.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM36174
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-3.361.53-4.902.316.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-3.97-0.632-3.343.026.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-3.970.271-4.232.916.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-3.971.02-52.826.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM4
JPEG
BDBM50240408
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
PDB
-3.931.98-5.912.706.9045



NIH





Biophys J 71: 2144-54 (1996)