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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.2
BDBM76864
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM76864
PNG
(1-[(2,4-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc23)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2N5O/c18-12-4-3-11(15(19)6-12)9-24-17-14(8-23-24)16(21-10-22-17)20-7-13-2-1-5-25-13/h1-6,8,10H,7,9H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.99E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM76864
PNG
(1-[(2,4-dichlorophenyl)methyl]-N-(2-furanylmethyl)...)
Show SMILES Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc23)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2N5O/c18-12-4-3-11(15(19)6-12)9-24-17-14(8-23-24)16(21-10-22-17)20-7-13-2-1-5-25-13/h1-6,8,10H,7,9H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.50E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair