BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with Target = 'ATP-citrate synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-citrate synthase


(Homo sapiens)
BDBM50394668
PNG
(CHEMBL2163366)
Show SMILES O[C@@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
220n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066694
PNG
((S)-2-[(R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxy-...)
Show SMILES O[C@H](CCCCCC1c2ccccc2-c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c25-15-10-11-20-18(17-8-4-5-9-19(17)21(20)12-15)7-3-1-2-6-16(26)13-24(31,23(29)30)14-22(27)28/h4-5,8-12,16,18,26,31H,1-3,6-7,13-14H2,(H,27,28)(H,29,30)/t16-,18?,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
220n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066677
PNG
((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
300n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50394671
PNG
(CHEMBL2165260)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
300n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066677
PNG
((S)-2-{(R)-8-[4-Chloro-2-(3,4-dimethyl-pyrrol-1-yl...)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
300n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50394671
PNG
(CHEMBL2165260)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
340n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066673
PNG
((S)-2-[(R)-7-(5-Chloro-2-phenyl-indol-1-yl)-2-hydr...)
Show SMILES O[C@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28ClNO6/c26-19-10-11-21-18(13-19)14-22(17-7-3-1-4-8-17)27(21)12-6-2-5-9-20(28)15-25(33,24(31)32)16-23(29)30/h1,3-4,7-8,10-11,13-14,20,28,33H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)/t20-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
370n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50394670
PNG
(CHEMBL2165263)
Show SMILES O[C@@H](CCCCCn1c(cc2cc(Cl)ccc12)-c1ccccc1)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28ClNO6/c26-19-10-11-21-18(13-19)14-22(17-7-3-1-4-8-17)27(21)12-6-2-5-9-20(28)15-25(33,24(31)32)16-23(29)30/h1,3-4,7-8,10-11,13-14,20,28,33H,2,5-6,9,12,15-16H2,(H,29,30)(H,31,32)/t20-,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
370n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066676
PNG
((2S,3R)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
550n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066676
PNG
((2S,3R)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
550n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50394671
PNG
(CHEMBL2165260)
Show SMILES Cc1cn(cc1C)-c1cc(Cl)ccc1CCCCCC[C@H](O)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H32ClNO6/c1-16-14-26(15-17(16)2)21-11-19(25)10-9-18(21)7-5-3-4-6-8-20(27)12-24(32,23(30)31)13-22(28)29/h9-11,14-15,20,27,32H,3-8,12-13H2,1-2H3,(H,28,29)(H,30,31)/t20-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
580n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50394672
PNG
(CHEMBL2165259)
Show SMILES O[C@@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@@](O)([C@@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
620n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066688
PNG
((2S,3S)-2-[(R)-8-(2,4-Dichloro-phenyl)-2-hydroxy-o...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)([C@H](O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O7/c19-12-8-7-11(14(20)9-12)5-3-1-2-4-6-13(21)10-18(27,17(25)26)15(22)16(23)24/h7-9,13,15,21-22,27H,1-6,10H2,(H,23,24)(H,25,26)/t13-,15-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
620n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066682
PNG
((S)-2-[(R)-7-(3-Chloro-carbazol-9-yl)-2-hydroxy-he...)
Show SMILES O[C@H](CCCCCn1c2ccccc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H26ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h3-4,7-10,12,16,26,31H,1-2,5-6,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
710n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50394669
PNG
(CHEMBL2165264)
Show SMILES O[C@@H](CCCCCn1c2ccccc2c2cc(Cl)ccc12)C[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H26ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h3-4,7-10,12,16,26,31H,1-2,5-6,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
710n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066689
PNG
((S)-2-[(R)-8-(5-Chloro-biphenyl-2-yl)-2-hydroxy-oc...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H29ClO6/c25-19-13-12-18(21(14-19)17-8-5-3-6-9-17)10-4-1-2-7-11-20(26)15-24(31,23(29)30)16-22(27)28/h3,5-6,8-9,12-14,20,26,31H,1-2,4,7,10-11,15-16H2,(H,27,28)(H,29,30)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
750n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
880n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
880n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACLY


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


(Homo sapiens)
BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human ATP citrate lyase


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


(Homo sapiens)
BDBM50066683
PNG
((S)-2-((R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was tested agianst human recombinant ATP-Citrate Lyase (ACL) enzyme


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


(Homo sapiens)
BDBM50066672
PNG
((S)-2-[(R)-8-(2-Benzyloxy-4-chloro-phenyl)-2-hydro...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1OCc1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H31ClO7/c26-20-13-12-19(22(14-20)33-17-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)15-25(32,24(30)31)16-23(28)29/h3-5,8-9,12-14,21,27,32H,1-2,6-7,10-11,15-17H2,(H,28,29)(H,30,31)/t21-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.10E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066685
PNG
((S)-2-[(R)-7-(5,7-Dichloro-indol-1-yl)-2-hydroxy-h...)
Show SMILES O[C@H](CCCCCn1ccc2cc(Cl)cc(Cl)c12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23Cl2NO6/c20-13-8-12-5-7-22(17(12)15(21)9-13)6-3-1-2-4-14(23)10-19(28,18(26)27)11-16(24)25/h5,7-9,14,23,28H,1-4,6,10-11H2,(H,24,25)(H,26,27)/t14-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.80E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066692
PNG
((S)-2-((S)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl)-...)
Show SMILES O[C@@H](CCCCCCc1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
2.00E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066687
PNG
((S)-2-[(R)-8-(5-Chloro-4'-fluoro-biphenyl-2-yl)-2-...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(F)cc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H28ClFO6/c25-18-10-7-16(21(13-18)17-8-11-19(26)12-9-17)5-3-1-2-4-6-20(27)14-24(32,23(30)31)15-22(28)29/h7-13,20,27,32H,1-6,14-15H2,(H,28,29)(H,30,31)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.70E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066680
PNG
((S)-2-[(R)-8-(5-Chloro-4'-methyl-biphenyl-2-yl)-2-...)
Show SMILES Cc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H31ClO6/c1-17-8-10-19(11-9-17)22-14-20(26)13-12-18(22)6-4-2-3-5-7-21(27)15-25(32,24(30)31)16-23(28)29/h8-14,21,27,32H,2-7,15-16H2,1H3,(H,28,29)(H,30,31)/t21-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.70E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066678
PNG
((S)-2-[(R)-7-(6-Chloro-1,2,3,4-tetrahydro-carbazol...)
Show SMILES O[C@H](CCCCCn1c2CCCCc2c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C23H30ClNO6/c24-15-9-10-20-18(12-15)17-7-3-4-8-19(17)25(20)11-5-1-2-6-16(26)13-23(31,22(29)30)14-21(27)28/h9-10,12,16,26,31H,1-8,11,13-14H2,(H,27,28)(H,29,30)/t16-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.90E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066686
PNG
((S)-2-[(R)-7-(3-Benzyl-5-chloro-indol-1-yl)-2-hydr...)
Show SMILES O[C@H](CCCCCn1cc(Cc2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H30ClNO6/c27-20-10-11-23-22(14-20)19(13-18-7-3-1-4-8-18)17-28(23)12-6-2-5-9-21(29)15-26(34,25(32)33)16-24(30)31/h1,3-4,7-8,10-11,14,17,21,29,34H,2,5-6,9,12-13,15-16H2,(H,30,31)(H,32,33)/t21-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.90E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066693
PNG
((S)-2-[(R)-8-(5-Chloro-indol-1-yl)-2-hydroxy-octyl...)
Show SMILES O[C@H](CCCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26ClNO6/c21-15-6-7-17-14(11-15)8-10-22(17)9-4-2-1-3-5-16(23)12-20(28,19(26)27)13-18(24)25/h6-8,10-11,16,23,28H,1-5,9,12-13H2,(H,24,25)(H,26,27)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.20E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066699
PNG
((S)-2-[(R)-7-(5-Chloro-indol-1-yl)-2-hydroxy-hepty...)
Show SMILES O[C@H](CCCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H24ClNO6/c20-14-5-6-16-13(10-14)7-9-21(16)8-3-1-2-4-15(22)11-19(27,18(25)26)12-17(23)24/h5-7,9-10,15,22,27H,1-4,8,11-12H2,(H,23,24)(H,25,26)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.50E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066702
PNG
((S)-2-[(R)-8-(4-Chloro-2-pyrrol-1-yl-phenyl)-2-hyd...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-n1cccc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C22H28ClNO6/c23-17-10-9-16(19(13-17)24-11-5-6-12-24)7-3-1-2-4-8-18(25)14-22(30,21(28)29)15-20(26)27/h5-6,9-13,18,25,30H,1-4,7-8,14-15H2,(H,26,27)(H,28,29)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.90E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066695
PNG
((S)-2-[(R)-8-(5,4'-Dichloro-biphenyl-2-yl)-2-hydro...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H28Cl2O6/c25-18-10-7-17(8-11-18)21-13-19(26)12-9-16(21)5-3-1-2-4-6-20(27)14-24(32,23(30)31)15-22(28)29/h7-13,20,27,32H,1-6,14-15H2,(H,28,29)(H,30,31)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5.00E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066700
PNG
((S)-2-[(R)-8-(5-Chloro-4'-methoxy-biphenyl-2-yl)-2...)
Show SMILES COc1ccc(cc1)-c1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H31ClO7/c1-33-21-12-9-18(10-13-21)22-14-19(26)11-8-17(22)6-4-2-3-5-7-20(27)15-25(32,24(30)31)16-23(28)29/h8-14,20,27,32H,2-7,15-16H2,1H3,(H,28,29)(H,30,31)/t20-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5.10E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066701
PNG
((R)-2-[(S)-8-(2,4-Dichloro-phenyl)-1-hydroxy-octyl...)
Show SMILES O[C@@H](CCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H24Cl2O6/c19-13-9-8-12(14(20)10-13)6-4-2-1-3-5-7-15(21)18(26,17(24)25)11-16(22)23/h8-10,15,21,26H,1-7,11H2,(H,22,23)(H,24,25)/t15-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5.70E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066675
PNG
((S)-2-[(R)-7-(5-Chloro-3-methyl-indol-1-yl)-2-hydr...)
Show SMILES Cc1cn(CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H26ClNO6/c1-13-12-22(17-7-6-14(21)9-16(13)17)8-4-2-3-5-15(23)10-20(28,19(26)27)11-18(24)25/h6-7,9,12,15,23,28H,2-5,8,10-11H2,1H3,(H,24,25)(H,26,27)/t15-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
9.50E+3n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066698
PNG
((S)-2-[(R)-7-(5-Chloro-3-phenyl-indol-1-yl)-2-hydr...)
Show SMILES O[C@H](CCCCCn1cc(-c2ccccc2)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28ClNO6/c26-18-10-11-22-20(13-18)21(17-7-3-1-4-8-17)16-27(22)12-6-2-5-9-19(28)14-25(33,24(31)32)15-23(29)30/h1,3-4,7-8,10-11,13,16,19,28,33H,2,5-6,9,12,14-15H2,(H,29,30)(H,31,32)/t19-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.10E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066691
PNG
((S)-2-[(R)-7-(5-Chloro-2-methyl-indol-1-yl)-2-hydr...)
Show SMILES Cc1cc2cc(Cl)ccc2n1CCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26ClNO6/c1-13-9-14-10-15(21)6-7-17(14)22(13)8-4-2-3-5-16(23)11-20(28,19(26)27)12-18(24)25/h6-7,9-10,16,23,28H,2-5,8,11-12H2,1H3,(H,24,25)(H,26,27)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.30E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066674
PNG
((R)-2-[(S)-9-(2,4-Dichloro-phenyl)-1-hydroxy-nonyl...)
Show SMILES O[C@@H](CCCCCCCCc1ccc(Cl)cc1Cl)[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H26Cl2O6/c20-14-10-9-13(15(21)11-14)7-5-3-1-2-4-6-8-16(22)19(27,18(25)26)12-17(23)24/h9-11,16,22,27H,1-8,12H2,(H,23,24)(H,25,26)/t16-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.80E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066703
PNG
((S)-2-[(R)-8-(4-Chloro-2-methoxy-phenyl)-2-hydroxy...)
Show SMILES COc1cc(Cl)ccc1CCCCCC[C@@H](O)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H27ClO7/c1-27-16-10-14(20)9-8-13(16)6-4-2-3-5-7-15(21)11-19(26,18(24)25)12-17(22)23/h8-10,15,21,26H,2-7,11-12H2,1H3,(H,22,23)(H,24,25)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.90E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066681
PNG
((S)-2-Hydroxy-2-[(R)-2-hydroxy-8-(5,2',4'-trichlor...)
Show SMILES O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H27Cl3O6/c25-16-8-7-15(20(11-16)19-10-9-17(26)12-21(19)27)5-3-1-2-4-6-18(28)13-24(33,23(31)32)14-22(29)30/h7-12,18,28,33H,1-6,13-14H2,(H,29,30)(H,31,32)/t18-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.10E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50052987
PNG
(2-[6-(4-Chloro-2-nitro-phenyl)-hexylsulfanylmethyl...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1ccc(Cl)cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H22ClNO7S/c18-13-7-6-12(14(9-13)19(25)26)5-3-1-2-4-8-27-11-17(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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.60E+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 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


(Homo sapiens)
BDBM50066690
PNG
((S)-2-[(R)-7-(6-Chloro-indol-1-yl)-2-hydroxy-hepty...)
Show SMILES O[C@H](CCCCCn1ccc2ccc(Cl)cc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H24ClNO6/c20-14-6-5-13-7-9-21(16(13)10-14)8-3-1-2-4-15(22)11-19(27,18(25)26)12-17(23)24/h5-7,9-10,15,22,27H,1-4,8,11-12H2,(H,23,24)(H,25,26)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4.10E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50066679
PNG
((S)-2-[(R)-7-(5-Chloro-3-nitro-indol-1-yl)-2-hydro...)
Show SMILES O[C@H](CCCCCn1cc([N+]([O-])=O)c2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23ClN2O8/c20-12-5-6-15-14(8-12)16(22(29)30)11-21(15)7-3-1-2-4-13(23)9-19(28,18(26)27)10-17(24)25/h5-6,8,11,13,23,28H,1-4,7,9-10H2,(H,24,25)(H,26,27)/t13-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
6.40E+4n/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 (ACL) enzyme


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


(Homo sapiens)
BDBM50053013
PNG
(2-[6-(3,5-Dichloro-pyridin-4-yl)-hexylsulfanylmeth...)
Show SMILES OC(=O)CC(O)(CSCCCCCCc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C16H21Cl2NO5S/c17-12-8-19-9-13(18)11(12)5-3-1-2-4-6-25-10-16(24,15(22)23)7-14(20)21/h8-9,24H,1-7,10H2,(H,20,21)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.21E+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)
BDBM50066704
PNG
((S)-2-[(R)-6-(5-Chloro-indol-1-yl)-2-hydroxy-hexyl...)
Show SMILES O[C@H](CCCCn1ccc2cc(Cl)ccc12)C[C@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H22ClNO6/c19-13-4-5-15-12(9-13)6-8-20(15)7-2-1-3-14(21)10-18(26,17(24)25)11-16(22)23/h4-6,8-9,14,21,26H,1-3,7,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.60E+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 (ACL) enzyme


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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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 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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
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


(Homo sapiens)
BDBM50209010
PNG
(3,5-dichloro-2-hydroxy-N-(4-methoxy-biphenyl-3-yl)...)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase


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


(Homo sapiens)
BDBM50036210
PNG
((2S,3S)-3-Carboxy-2,3-dihydroxy-pentanedioic acid ...)
Show SMILES O[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase


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


(Homo sapiens)
BDBM50209015
PNG
(3,5-dichloro-2-hydroxy-N-(2,4,6-triphenylphenyl)be...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21Cl2NO3S/c31-24-18-27(32)30(34)28(19-24)37(35,36)33-29-25(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-26(29)22-14-8-3-9-15-22/h1-19,33-34H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATP-citrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>
Jump to: