BindingDB logo
myBDB logout

16 similar compounds to monomer 50018569

Wt: 141.1
BDBM36114
Purchase
Wt: 194.2
BDBM36210
Purchase
Wt: 312.5
BDBM119875
Purchase
Wt: 370.5
BDBM50018564
Wt: 426.6
BDBM50018565
Wt: 314.4
BDBM50018566
Wt: 286.4
BDBM50018567
Wt: 398.6
BDBM50018568
Wt: 186.2
BDBM50022418
Purchase
Wt: 324.5
BDBM50027526
Wt: 143.2
BDBM50269966
Purchase
Wt: 143.2
BDBM50340066
Purchase
Wt: 171.2
BDBM50340067
Purchase
Wt: 199.3
BDBM50340068
Purchase
Wt: 144.2
BDBM50412192
Purchase
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 36114,36210,119875,50018564,50018565,50018566,50018567,50018568,50022418,50027526,50269966,50340066,50340067,50340068,50412192   
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
Liver fatty acid binding protein (human L-FABP T94T)


(Homo sapiens (Human))
BDBM119875
PNG
(3,7,11,15-tetramethylhexadecanoic acid | Phytanic ...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
Show InChI InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
35n/an/an/an/an/an/an/an/a



Texas A&M University



Assay Description
A solution of the L-FABP (500 nM) and ANS (35 µM) was titrated with phytanic acid (0-6.4 µM) or fenofibrate (0-6 µM for the rat L-FABP...


Citation and Details
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM119875
PNG
(3,7,11,15-tetramethylhexadecanoic acid | Phytanic ...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
Show InChI InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
37n/an/an/an/an/an/an/an/a



Texas A&M University



Assay Description
A solution of the L-FABP (500 nM) and ANS (35 µM) was titrated with phytanic acid (0-6.4 µM) or fenofibrate (0-6 µM for the rat L-FABP...


Citation and Details
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (human L-FABP T94A)


(Homo sapiens (Human))
BDBM119875
PNG
(3,7,11,15-tetramethylhexadecanoic acid | Phytanic ...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
Show InChI InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
38n/an/an/an/an/an/an/an/a



Texas A&M University



Assay Description
A solution of the L-FABP (500 nM) and ANS (35 µM) was titrated with phytanic acid (0-6.4 µM) or fenofibrate (0-6 µM for the rat L-FABP...


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
6.60E+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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50412192
PNG
(CHEMBL1162486)
Show SMILES CCCC[C@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.61E+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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
5.62E+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


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50412192
PNG
(CHEMBL1162486)
Show SMILES CCCC[C@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
5.62E+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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50340068
PNG
(CHEMBL1762650 | sodium 2-Buyloctanoate)
Show SMILES CCCCCCC(CCCC)C([O-])=O
Show InChI InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
8.30E+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 2 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50340066
PNG
(CHEMBL1762648 | sodium 2-Methylheptanoate)
Show SMILES CCCCCC(C)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
9.20E+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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
9.30E+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 2 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
9.30E+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 2 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50340067
PNG
(CHEMBL1762649 | sodium 4-Ethyloctanoate)
Show SMILES CCCCC(CC)CCC([O-])=O
Show InChI InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
9.60E+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 2 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50340068
PNG
(CHEMBL1762650 | sodium 2-Buyloctanoate)
Show SMILES CCCCCCC(CCCC)C([O-])=O
Show InChI InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.01E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50340066
PNG
(CHEMBL1762648 | sodium 2-Methylheptanoate)
Show SMILES CCCCCC(C)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.10E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50340067
PNG
(CHEMBL1762649 | sodium 4-Ethyloctanoate)
Show SMILES CCCCC(CC)CCC([O-])=O
Show InChI InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.80E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
4.50E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
4.50E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018564
PNG
(3,3,16,16-Tetramethyl-octadecanedioic acid | CHEMB...)
Show SMILES CC(C)(CCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C22H42O4/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26/h5-18H2,1-4H3,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
4.60E+7n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Inhibition against ATP-citrate lyase in liver


J Med Chem 32: 2072-84 (1989)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018566
PNG
(3,3,12,12-Tetramethyl-tetradecanedioic acid | CHEM...)
Show SMILES CC(C)(CCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C18H34O4/c1-17(2,13-15(19)20)11-9-7-5-6-8-10-12-18(3,4)14-16(21)22/h5-14H2,1-4H3,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
5.60E+7n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Inhibition against ATP-citrate lyase in rat liver.


J Med Chem 32: 2072-84 (1989)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018568
PNG
(3,3,18,18-Tetramethyl-icosanedioic acid | CHEMBL66...)
Show SMILES CC(C)(CCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C24H46O4/c1-23(2,19-21(25)26)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(3,4)20-22(27)28/h5-20H2,1-4H3,(H,25,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
2.60E+8n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Inhibition against ATP-citrate lyase in liver


J Med Chem 32: 2072-84 (1989)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018567
PNG
(3,3,10,10-Tetramethyl-dodecanedioic acid | CHEMBL6...)
Show SMILES CC(C)(CCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C16H30O4/c1-15(2,11-13(17)18)9-7-5-6-8-10-16(3,4)12-14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
3.10E+8n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Inhibition against ATP-citrate lyase in rat liver


J Med Chem 32: 2072-84 (1989)

More data for this
Ligand-Target Pair
ATP-citrate synthase


(Rattus norvegicus)
BDBM50018565
PNG
(3,3,20,20-Tetramethyl-docosanedioic acid | CHEMBL6...)
Show SMILES CC(C)(CCCCCCCCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
Show InChI InChI=1S/C26H50O4/c1-25(2,21-23(27)28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-26(3,4)22-24(29)30/h5-22H2,1-4H3,(H,27,28)(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3.20E+8n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Inhibition against ATP-citrate lyase in liver


J Med Chem 32: 2072-84 (1989)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50027526
PNG
(4-(2-Tetradecyl-cyclopropyl)-butyric acid | CHEMBL...)
Show SMILES CCCCCCCCCCCCCCC1CC1CCCC(O)=O
Show InChI InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-18-20(19)16-14-17-21(22)23/h19-20H,2-18H2,1H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase


J Med Chem 26: 72-8 (1983)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 2.87E+4n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)

More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7


J Med Chem 31: 230-43 (1988)

More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase; value ranges from 10E-5 to 10E-6


J Med Chem 31: 230-43 (1988)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 3.18E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lens alodse reductase by spectrofluorimetry


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 36114,36210,119875,50018564,50018565,50018566,50018567,50018568,50022418,50027526,50269966,50340066,50340067,50340068,50412192
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36114
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.23-3.05-1.183.106.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36210
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.534-5.304.307.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM4
JPEG
BDBM36210
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
n/a-0.121-3.102.307.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)