BindingDB logo
myBDB logout

BDBM76227 MLS001121840::N-[3-(3-chlorophenyl)phenyl]-1-[[5-(methoxymethyl)-2-furanyl]methyl]-4-piperidinecarboxamide::N-[3-(3-chlorophenyl)phenyl]-1-[[5-(methoxymethyl)-2-furyl]methyl]isonipecotamide::N-[3-(3-chlorophenyl)phenyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine-4-carboxamide::SMR000658174::cid_24818948

SMILES: COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1

InChI Key: InChIKey=REJDNAKFOOKWFS-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 76227   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76227
PNG
(MLS001121840 | N-[3-(3-chlorophenyl)phenyl]-1-[[5-...)
Show SMILES COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
Show InChI InChI=1S/C25H27ClN2O3/c1-30-17-24-9-8-23(31-24)16-28-12-10-18(11-13-28)25(29)27-22-7-3-5-20(15-22)19-4-2-6-21(26)14-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76227
PNG
(MLS001121840 | N-[3-(3-chlorophenyl)phenyl]-1-[[5-...)
Show SMILES COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
Show InChI InChI=1S/C25H27ClN2O3/c1-30-17-24-9-8-23(31-24)16-28-12-10-18(11-13-28)25(29)27-22-7-3-5-20(15-22)19-4-2-6-21(26)14-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.01E+3n/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/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76227
PNG
(MLS001121840 | N-[3-(3-chlorophenyl)phenyl]-1-[[5-...)
Show SMILES COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
Show InChI InChI=1S/C25H27ClN2O3/c1-30-17-24-9-8-23(31-24)16-28-12-10-18(11-13-28)25(29)27-22-7-3-5-20(15-22)19-4-2-6-21(26)14-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,27,29)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.78E+4n/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/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76227
PNG
(MLS001121840 | N-[3-(3-chlorophenyl)phenyl]-1-[[5-...)
Show SMILES COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
Show InChI InChI=1S/C25H27ClN2O3/c1-30-17-24-9-8-23(31-24)16-28-12-10-18(11-13-28)25(29)27-22-7-3-5-20(15-22)19-4-2-6-21(26)14-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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/Q2NS0SCW
More data for this
Ligand-Target Pair