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SMILES: CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O

InChI Key: InChIKey=GGVWRPCIKKOFML-UHFFFAOYSA-N

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 = 43937   
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))
BDBM43937
PNG
(3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]...)
Show SMILES CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.01E+3n/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/Q2M32T6M
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43937
PNG
(3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]...)
Show SMILES CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O
Show InChI InChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.43E+4n/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