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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM77237
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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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM77237
PNG
(3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c1-20-24(21(2)32-26(28-20)19-25(29-32)22-9-5-3-6-10-22)13-14-27(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-12,19H,13-18H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM77237
PNG
(3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c1-20-24(21(2)32-26(28-20)19-25(29-32)22-9-5-3-6-10-22)13-14-27(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.59E+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