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7 similar compounds to monomer 50052993

Wt: 416.5
BDBM50053014
Wt: 368.4
BDBM50053017
Wt: 326.4
BDBM50053019
Wt: 402.5
BDBM50052979
Wt: 348.4
BDBM50052984
Wt: 340.4
BDBM50052992
Wt: 390.4
BDBM50052999

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50053014,50053017,50053019,50052979,50052984,50052992,50052999   
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
ATP-citrate synthase


(Rattus norvegicus)
BDBM50053014
PNG
(2-(6-Biphenyl-4-yl-hexylsulfanylmethyl)-2-hydroxy-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28O5S/c24-21(25)16-23(28,22(26)27)17-29-15-7-2-1-4-8-18-11-13-20(14-12-18)19-9-5-3-6-10-19/h3,5-6,9-14,28H,1-2,4,7-8,15-17H2,(H,24,25)(H,26,27)
PDB
MMDB

KEGG

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Article
PubMed
3.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


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


(Rattus norvegicus)
BDBM50052999
PNG
(2-Hydroxy-2-(6-naphthalen-2-yl-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26O5S/c22-19(23)14-21(26,20(24)25)15-27-12-6-2-1-3-7-16-10-11-17-8-4-5-9-18(17)13-16/h4-5,8-11,13,26H,1-3,6-7,12,14-15H2,(H,22,23)(H,24,25)
PDB
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KEGG

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AffyNet 
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Article
PubMed
9.30E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


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


(Rattus norvegicus)
BDBM50053017
PNG
(2-[6-(2,4-Dimethyl-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES Cc1ccc(CCCCCCSCC(O)(CC(O)=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C19H28O5S/c1-14-8-9-16(15(2)11-14)7-5-3-4-6-10-25-13-19(24,18(22)23)12-17(20)21/h8-9,11,24H,3-7,10,12-13H2,1-2H3,(H,20,21)(H,22,23)
PDB
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PubMed
1.60E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


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


(Rattus norvegicus)
BDBM50052979
PNG
(2-(5-Biphenyl-4-yl-pentylsulfanylmethyl)-2-hydroxy...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26O5S/c23-20(24)15-22(27,21(25)26)16-28-14-6-2-3-7-17-10-12-19(13-11-17)18-8-4-1-5-9-18/h1,4-5,8-13,27H,2-3,6-7,14-16H2,(H,23,24)(H,25,26)
PDB
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PubMed
2.26E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


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


(Homo sapiens)
BDBM50052984
PNG
(2-Hydroxy-2-(3-naphthalen-2-yl-propylsulfanylmethy...)
Show SMILES OC(=O)CC(O)(CSCCCc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C18H20O5S/c19-16(20)11-18(23,17(21)22)12-24-9-3-4-13-7-8-14-5-1-2-6-15(14)10-13/h1-2,5-8,10,23H,3-4,9,11-12H2,(H,19,20)(H,21,22)
PDB
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PubMed
3.00E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetat...


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


(Homo sapiens)
BDBM50052992
PNG
(2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)
PDB
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PubMed
3.20E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant ATP-Citrate Lyase was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


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


(Rattus norvegicus)
BDBM50053019
PNG
(2-Hydroxy-2-(5-phenyl-pentylsulfanylmethyl)-succin...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H22O5S/c17-14(18)11-16(21,15(19)20)12-22-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2,(H,17,18)(H,19,20)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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Article
PubMed
4.90E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.


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


(Rattus norvegicus)
BDBM50052992
PNG
(2-Hydroxy-2-(6-phenyl-hexylsulfanylmethyl)-succini...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H24O5S/c18-15(19)12-17(22,16(20)21)13-23-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,22H,1-2,4,7-8,11-13H2,(H,18,19)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.10E+5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH


Citation and Details
More data for this
Ligand-Target Pair