BindingDB logo
myBDB logout

BDBM43900 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid::4-phenyl-2-[[(E)-3-phenylacryloyl]amino]-3-thenoic acid::4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid::VU0286647-2-D14::cid_950131

SMILES: OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1

InChI Key: InChIKey=MBZMPNGHYYLKTD-VAWYXSNFSA-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 = 43900   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43900
PNG
(2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-phenyl-...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
Show InChI InChI=1S/C20H15NO3S/c22-17(12-11-14-7-3-1-4-8-14)21-19-18(20(23)24)16(13-25-19)15-9-5-2-6-10-15/h1-13H,(H,21,22)(H,23,24)/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 134n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43900
PNG
(2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-phenyl-...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
Show InChI InChI=1S/C20H15NO3S/c22-17(12-11-14-7-3-1-4-8-14)21-19-18(20(23)24)16(13-25-19)15-9-5-2-6-10-15/h1-13H,(H,21,22)(H,23,24)/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 7.90E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44H3
More data for this
Ligand-Target Pair