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BDBM67184 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(2-methylpropyl)thiourea::1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-isobutyl-thiourea::1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(2-methylpropyl)thiourea::1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(2-methylpropyl)thiourea::2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-isobutylhydrazinecarbothioamide::MLS000538640::SMR000160245::cid_1767917

SMILES: CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C

InChI Key: InChIKey=DVBFNSLWOZCCMU-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 67184   
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
Apelin receptor


(Homo sapiens (Human))
BDBM67184
PNG
(1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propano...)
Show SMILES CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H22BrN5OS/c1-8(2)7-15-13(21)17-16-11(20)5-6-19-10(4)12(14)9(3)18-19/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)
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PC cid
PC sid
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PCBioAssay
n/an/a 3.01E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM67184
PNG
(1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propano...)
Show SMILES CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H22BrN5OS/c1-8(2)7-15-13(21)17-16-11(20)5-6-19-10(4)12(14)9(3)18-19/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)
PDB
MMDB

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Article
PCBioAssay
n/an/an/an/a 3.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67184
PNG
(1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propano...)
Show SMILES CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
Show InChI InChI=1S/C13H22BrN5OS/c1-8(2)7-15-13(21)17-16-11(20)5-6-19-10(4)12(14)9(3)18-19/h8H,5-7H2,1-4H3,(H,16,20)(H2,15,17,21)
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Article
PCBioAssay
n/an/a 1.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair