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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 12 member 5' and Ligand = 'BDBM43941'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM43941
PNG
(4-(2-benzo[cd]indolylamino)-1,5-dimethyl-2-phenyl-...)
Show SMILES Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
Show InChI InChI=1S/C22H18N4O/c1-14-20(22(27)26(25(14)2)16-10-4-3-5-11-16)24-21-17-12-6-8-15-9-7-13-18(23-21)19(15)17/h3-13H,1-2H3,(H,23,24)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.48E+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/Q2TX3CSC
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM43941
PNG
(4-(2-benzo[cd]indolylamino)-1,5-dimethyl-2-phenyl-...)
Show SMILES Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
Show InChI InChI=1S/C22H18N4O/c1-14-20(22(27)26(25(14)2)16-10-4-3-5-11-16)24-21-17-12-6-8-15-9-7-13-18(23-21)19(15)17/h3-13H,1-2H3,(H,23,24)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 733n/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))
BDBM43941
PNG
(4-(2-benzo[cd]indolylamino)-1,5-dimethyl-2-phenyl-...)
Show SMILES Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
Show InChI InChI=1S/C22H18N4O/c1-14-20(22(27)26(25(14)2)16-10-4-3-5-11-16)24-21-17-12-6-8-15-9-7-13-18(23-21)19(15)17/h3-13H,1-2H3,(H,23,24)
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.89E+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/Q2Q52N1X
More data for this
Ligand-Target Pair