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4 similar compounds to monomer 50053029

Wt: 409.3
BDBM50053020
Wt: 395.2
BDBM50052985
Wt: 451.4
BDBM50053009
Wt: 423.3
BDBM50053010

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50053020,50052985,50053009,50053010   
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)
BDBM50053020
PNG
(2-[6-(2,4-Dichloro-phenyl)-hexylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C17H22Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h6-7,9,24H,1-5,8,10-11H2,(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.30E+3n/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)
BDBM50052985
PNG
(2-[5-(2,4-Dichloro-phenyl)-pentylsulfanylmethyl]-2...)
Show SMILES OC(=O)CC(O)(CSCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C16H20Cl2O5S/c17-12-6-5-11(13(18)8-12)4-2-1-3-7-24-10-16(23,15(21)22)9-14(19)20/h5-6,8,23H,1-4,7,9-10H2,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.80E+3n/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)
BDBM50053010
PNG
(2-[7-(2,4-Dichloro-phenyl)-heptylsulfanylmethyl]-2...)
Show SMILES OC(=O)CC(O)(CSCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C18H24Cl2O5S/c19-14-8-7-13(15(20)10-14)6-4-2-1-3-5-9-26-12-18(25,17(23)24)11-16(21)22/h7-8,10,25H,1-6,9,11-12H2,(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.20E+3n/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)
BDBM50053009
PNG
(2-[9-(2,4-Dichloro-phenyl)-nonylsulfanylmethyl]-2-...)
Show SMILES OC(=O)CC(O)(CSCCCCCCCCCc1ccc(Cl)cc1Cl)C(O)=O
Show InChI InChI=1S/C20H28Cl2O5S/c21-16-10-9-15(17(22)12-16)8-6-4-2-1-3-5-7-11-28-14-20(27,19(25)26)13-18(23)24/h9-10,12,27H,1-8,11,13-14H2,(H,23,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.00E+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