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BDBM37790 6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one::6,6-dimethyl-9-(3-methyl-2-thiophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one::6,6-dimethyl-9-(3-methylthiophen-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one::MLS000114437::SMR000091825::cid_5307673

SMILES: Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12

InChI Key: InChIKey=VHGMVLAJVZLWFD-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 37790   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37790
PNG
(6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrah...)
Show SMILES Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
Show InChI InChI=1S/C16H18N4OS/c1-9-4-5-22-14(9)13-12-10(6-16(2,3)7-11(12)21)19-15-17-8-18-20(13)15/h4-5,8,12-13H,6-7H2,1-3H3
PDB

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PC cid
PC sid
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Similars

PCBioAssay
8.20E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37790
PNG
(6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrah...)
Show SMILES Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
Show InChI InChI=1S/C16H18N4OS/c1-9-4-5-22-14(9)13-12-10(6-16(2,3)7-11(12)21)19-15-17-8-18-20(13)15/h4-5,8,12-13H,6-7H2,1-3H3
PDB

NCI pathway
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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37790
PNG
(6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrah...)
Show SMILES Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
Show InChI InChI=1S/C16H18N4OS/c1-9-4-5-22-14(9)13-12-10(6-16(2,3)7-11(12)21)19-15-17-8-18-20(13)15/h4-5,8,12-13H,6-7H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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UniChem

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PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DF6PMF
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37790
PNG
(6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrah...)
Show SMILES Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
Show InChI InChI=1S/C16H18N4OS/c1-9-4-5-22-14(9)13-12-10(6-16(2,3)7-11(12)21)19-15-17-8-18-20(13)15/h4-5,8,12-13H,6-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.25E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J67FB5
More data for this
Ligand-Target Pair