BindingDB logo
myBDB logout

BDBM55415 MLS000519756::N-cyclohexyl-1-[2-furanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-1-cyclohexanecarboxamide::N-cyclohexyl-1-[2-furfuryl-[2-(2-thienyl)acetyl]amino]cyclohexanecarboxamide::N-cyclohexyl-1-[furan-2-ylmethyl(2-thiophen-2-ylethanoyl)amino]cyclohexane-1-carboxamide::N-cyclohexyl-1-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide::SMR000130174::cid_4309872

SMILES: O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1

InChI Key: InChIKey=OVVOYVATOVUZNI-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 55415   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM55415
PNG
(MLS000519756 | N-cyclohexyl-1-[2-furanylmethyl-(1-...)
Show SMILES O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H32N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.42E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55415
PNG
(MLS000519756 | N-cyclohexyl-1-[2-furanylmethyl-(1-...)
Show SMILES O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H32N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair