BindingDB logo
myBDB logout

4 similar compounds to monomer 18372

Wt: 549.5
BDBM22159
Wt: 480.5
BDBM50371228
Purchase
Wt: 496.5
BDBM50432558
Wt: 507.6
BDBM155383

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 22159,50371228,50432558,155383   
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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22159
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1nnnn1C)S(C)(=O)=O
Show InChI InChI=1S/C23H28FN7O6S/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)31(38(4,36)37)23-27-28-29-30(23)3/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 4.20n/a 1n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)

More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50371228
PNG
(Crestor | ROSUVASTATIN CALCIUM | Rosuvastatin | US...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.03E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of Holtzman-Sprague-Dawley rat liver HMG CoA reductase after 30 mins


Bioorg Med Chem 15: 7809-29 (2007)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase in human A549 cells after 5 mins by spectrophotometric analysis


J Med Chem 56: 3645-55 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

AffyNet 
Article
PubMed
n/an/a 133n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis


J Med Chem 56: 3645-55 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis


J Med Chem 56: 3645-55 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis


J Med Chem 56: 3645-55 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 125n/an/an/an/an/an/a



ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)

More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50371228
PNG
(Crestor | ROSUVASTATIN CALCIUM | Rosuvastatin | US...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4n/an/an/an/an/an/a



Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)

More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155383
PNG
(US9006282, Example 2, Compound 11 | US9102656, Exa...)
Show SMILES CCCOC1C[C@H](O)C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C
Show InChI InChI=1/C25H34FN3O5S/c1-6-13-33-22-15-19(30)14-20(34-22)11-12-21-23(16(2)3)27-25(29(4)35(5,31)32)28-24(21)17-7-9-18(26)10-8-17/h7-12,16,19-20,22,30H,6,13-15H2,1-5H3/b12-11+/t19-,20-,22?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 10n/an/an/an/an/an/a



Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM155383
PNG
(US9006282, Example 2, Compound 11 | US9102656, Exa...)
Show SMILES CCCOC1C[C@H](O)C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C
Show InChI InChI=1/C25H34FN3O5S/c1-6-13-33-22-15-19(30)14-20(34-22)11-12-21-23(16(2)3)27-25(29(4)35(5,31)32)28-24(21)17-7-9-18(26)10-8-17/h7-12,16,19-20,22,30H,6,13-15H2,1-5H3/b12-11+/t19-,20-,22?/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 10n/an/an/an/an/an/a



RedX Pharma Limited

US Patent


Assay Description
The following procedure was followed using a HMG-CoA Reductase assay kit obtained from Sigma-Aldrich (catalogue number CS1090). The assay is based on...


US Patent US9102656 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 600n/an/an/an/an/an/a



ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

AffyNet 
US Patent
n/an/a 133n/an/an/an/an/an/a



ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent


Assay Description
The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...


US Patent US9353061 (2016)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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

Similars

AffyNet 
US Patent
n/an/a 43.7n/an/an/an/an/an/a



ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent


Assay Description
The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 μg total cell lys...


US Patent US9353061 (2016)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50432558
PNG
(CHEMBL2347009 | US9353061, Rosuva-HA (7))
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H29FN4O6S/c1-13(2)20-18(10-9-16(28)11-17(29)12-19(30)26-31)21(14-5-7-15(23)8-6-14)25-22(24-20)27(3)34(4,32)33/h5-10,13,16-17,28-29,31H,11-12H2,1-4H3,(H,26,30)/b10-9+/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HMG-CoA reductase (unknown origin) after 10 mins by spectrophotometric analysis


J Med Chem 56: 3645-55 (2013)

More data for this
Ligand-Target Pair