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4 similar compounds to monomer 108303

Compile data set for download or QSAR
Wt: 286.3
BDBM15647
Purchase
Wt: 343.4
BDBM15663
Purchase
Wt: 303.3
BDBM75651
Wt: 396.5
BDBM108306

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 15647,15663,75651,108306   
Target/Host
(Institution)
LigandTarget/Host
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
Histamine H3 receptor


(Macaca mulatta (Rhesus macaque))
BDBM108306
PNG
(US8604046, 86)
Show SMILES C[C@H]1CCCCN1[C@H]1CCN(C1)c1ccc(cc1)N1CCC2(CCNCC2)C1=O
Show InChI InChI=1S/C24H36N4O/c1-19-4-2-3-15-27(19)22-9-16-26(18-22)20-5-7-21(8-6-20)28-17-12-24(23(28)29)10-13-25-14-11-24/h5-8,19,22,25H,2-4,9-18H2,1H3/t19-,22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.400n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...


US Patent US8604046 (2013)


BindingDB Entry DOI: 10.7270/Q2W957TB
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM15663
PNG
(1-cyclohexyl-N-(4-acetamidophenyl)-5-oxopyrrolidin...)
Show SMILES CC(=O)Nc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
Show InChI InChI=1S/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)21-19(25)14-11-18(24)22(12-14)17-5-3-2-4-6-17/h7-10,14,17H,2-6,11-12H2,1H3,(H,20,23)(H,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a6.823



University of California at San Francisco



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...


J Med Chem 49: 6308-23 (2006)


Article DOI: 10.1021/jm060715y
BindingDB Entry DOI: 10.7270/Q2707ZP0
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75651
PNG
(1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (4...)
Show SMILES CC(C)N1CC(CC1=O)C(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM15647
PNG
(1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxami...)
Show SMILES O=C(Nc1ccccc1)C1CN(C2CCCCC2)C(=O)C1
Show InChI InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.07E+4n/an/an/an/a6.823



University of California at San Francisco



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...


J Med Chem 49: 6308-23 (2006)


Article DOI: 10.1021/jm060715y
BindingDB Entry DOI: 10.7270/Q2707ZP0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75651
PNG
(1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (4...)
Show SMILES CC(C)N1CC(CC1=O)C(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair