BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 259.2
BDBM50202824
Wt: 297.2
BDBM50202818
Wt: 303.2
BDBM50202819
Wt: 301.3
BDBM50202822
Wt: 298.2
BDBM50202793
Wt: 301.3
BDBM50202794
Wt: 313.3
BDBM50202796
Wt: 302.2
BDBM50202799
Wt: 273.2
BDBM50202804
Wt: 259.2
BDBM50202805
Purchase
Wt: 313.3
BDBM50202809
Wt: 301.3
BDBM50202810
Wt: 273.2
BDBM50202812
Wt: 271.2
BDBM50202816
Wt: 301.3
BDBM50202815
Displayed 1 to 15 (of 274 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
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
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202809
PNG
(CHEMBL247462 | N-(cyclopropylmethyl)-N-propyl-4-(2...)
Show SMILES CCCN(CC1CC1)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-2-9-20(10-11-3-4-11)15(22)13-7-5-12(6-8-13)14(21)16(17,18)19/h5-8,11H,2-4,9-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202794
PNG
(CHEMBL247256 | N,N-dipropyl-4-(2,2,2-trifluoroacet...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-3-9-19(10-4-2)14(21)12-7-5-11(6-8-12)13(20)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202794
PNG
(CHEMBL247256 | N,N-dipropyl-4-(2,2,2-trifluoroacet...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-3-9-19(10-4-2)14(21)12-7-5-11(6-8-12)13(20)15(16,17)18/h5-8H,3-4,9-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202793
PNG
(CHEMBL246033 | N-(2-cyanoethyl)-N-ethyl-4-(2,2,2-t...)
Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-19(9-3-8-18)13(21)11-6-4-10(5-7-11)12(20)14(15,16)17/h4-7H,2-3,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 214n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202793
PNG
(CHEMBL246033 | N-(2-cyanoethyl)-N-ethyl-4-(2,2,2-t...)
Show SMILES CCN(CCC#N)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-19(9-3-8-18)13(21)11-6-4-10(5-7-11)12(20)14(15,16)17/h4-7H,2-3,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 214n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202815
PNG
(CHEMBL246029 | N-(4-methylpentan-2-yl)-4-(2,2,2-tr...)
Show SMILES CC(C)CC(C)NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-9(2)8-10(3)19-14(21)12-6-4-11(5-7-12)13(20)15(16,17)18/h4-7,9-10H,8H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 242n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202815
PNG
(CHEMBL246029 | N-(4-methylpentan-2-yl)-4-(2,2,2-tr...)
Show SMILES CC(C)CC(C)NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-9(2)8-10(3)19-14(21)12-6-4-11(5-7-12)13(20)15(16,17)18/h4-7,9-10H,8H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 242n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202796
PNG
(CHEMBL396690 | N-(2-methylcyclohexyl)-4-(2,2,2-tri...)
Show SMILES CC1CCCCC1NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-10-4-2-3-5-13(10)20-15(22)12-8-6-11(7-9-12)14(21)16(17,18)19/h6-10,13H,2-5H2,1H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 304n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202796
PNG
(CHEMBL396690 | N-(2-methylcyclohexyl)-4-(2,2,2-tri...)
Show SMILES CC1CCCCC1NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-10-4-2-3-5-13(10)20-15(22)12-8-6-11(7-9-12)14(21)16(17,18)19/h6-10,13H,2-5H2,1H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 304n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202810
PNG
(CHEMBL449355 | N-hexyl-4-(2,2,2-trifluoroacetyl)be...)
Show SMILES CCCCCCNC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-2-3-4-5-10-19-14(21)12-8-6-11(7-9-12)13(20)15(16,17)18/h6-9H,2-5,10H2,1H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 679n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202819
PNG
(CHEMBL246035 | N-ethyl-N-(2-methoxyethyl)-4-(2,2,2...)
Show SMILES CCN(CCOC)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3NO3/c1-3-18(8-9-21-2)13(20)11-6-4-10(5-7-11)12(19)14(15,16)17/h4-7H,3,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202804
PNG
(CHEMBL247463 | N-isobutyl-4-(2,2,2-trifluoroacetyl...)
Show SMILES CC(C)CNC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO2/c1-8(2)7-17-12(19)10-5-3-9(4-6-10)11(18)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202812
PNG
(CHEMBL397382 | N,N-diethyl-4-(2,2,2-trifluoroacety...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO2/c1-3-17(4-2)12(19)10-7-5-9(6-8-10)11(18)13(14,15)16/h5-8H,3-4H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202818
PNG
(CHEMBL245823 | N-(furan-2-ylmethyl)-4-(2,2,2-trifl...)
Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCc1ccco1
Show InChI InChI=1S/C14H10F3NO3/c15-14(16,17)12(19)9-3-5-10(6-4-9)13(20)18-8-11-2-1-7-21-11/h1-7H,8H2,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202822
PNG
(CHEMBL248287 | N-(3,3-dimethylbutyl)-4-(2,2,2-trif...)
Show SMILES CC(C)(C)CCNC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3NO2/c1-14(2,3)8-9-19-13(21)11-6-4-10(5-7-11)12(20)15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202816
PNG
(2,2,2-trifluoro-1-(4-(pyrrolidine-1-carbonyl)pheny...)
Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C13H12F3NO2/c14-13(15,16)11(18)9-3-5-10(6-4-9)12(19)17-7-1-2-8-17/h3-6H,1-2,7-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202805
PNG
(CHEMBL398019 | N-isopropyl-4-(2,2,2-trifluoroacety...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H12F3NO2/c1-7(2)16-11(18)9-5-3-8(4-6-9)10(17)12(13,14)15/h3-7H,1-2H3,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.36E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202824
PNG
(CHEMBL395471 | N-(4-(2,2,2-trifluoroacetyl)phenyl)...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H12F3NO2/c1-7(2)11(18)16-9-5-3-8(4-6-9)10(17)12(13,14)15/h3-7H,1-2H3,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.45E+3n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase


(Homo sapiens)
BDBM50202799
PNG
(CHEMBL245402 | N-(4-(2,2,2-trifluoroacetyl)phenyl)...)
Show SMILES FC(F)(F)C(=O)c1ccc(NC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C13H13F3N2O3/c14-13(15,16)11(19)9-1-3-10(4-2-9)17-12(20)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair