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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6
BDBM30843
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30843
PNG
(1-[[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]methyl]...)
Show SMILES CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
Show InChI InChI=1S/C29H37N3O4/c1-5-21-8-11-23(12-9-21)29-31-25(20(2)36-29)19-32-16-6-7-24(18-32)28(33)30-15-14-22-10-13-26(34-3)27(17-22)35-4/h8-13,17,24H,5-7,14-16,18-19H2,1-4H3,(H,30,33)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM30843
PNG
(1-[[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]methyl]...)
Show SMILES CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
Show InChI InChI=1S/C29H37N3O4/c1-5-21-8-11-23(12-9-21)29-31-25(20(2)36-29)19-32-16-6-7-24(18-32)28(33)30-15-14-22-10-13-26(34-3)27(17-22)35-4/h8-13,17,24H,5-7,14-16,18-19H2,1-4H3,(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 5.02E+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))
BDBM30843
PNG
(1-[[2-(4-ethylphenyl)-5-methyl-oxazol-4-yl]methyl]...)
Show SMILES CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
Show InChI InChI=1S/C29H37N3O4/c1-5-21-8-11-23(12-9-21)29-31-25(20(2)36-29)19-32-16-6-7-24(18-32)28(33)30-15-14-22-10-13-26(34-3)27(17-22)35-4/h8-13,17,24H,5-7,14-16,18-19H2,1-4H3,(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.95E+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