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BDBM39039 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]propanoic acid::3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid::3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid::3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid::MLS000120704::SMR000097547::cid_5307346

SMILES: COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1

InChI Key: InChIKey=KGISTBTWGCVWQU-UHFFFAOYSA-N

Data: 4 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 = 39039   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39039
PNG
(3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1
Show InChI InChI=1S/C19H21N3O4/c1-11-16(5-6-19(23)24)12(2)22-18(20-11)10-17(21-22)13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
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n/an/a 625n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39039
PNG
(3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1
Show InChI InChI=1S/C19H21N3O4/c1-11-16(5-6-19(23)24)12(2)22-18(20-11)10-17(21-22)13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,23,24)
PDB
MMDB

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n/an/a 786n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39039
PNG
(3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1
Show InChI InChI=1S/C19H21N3O4/c1-11-16(5-6-19(23)24)12(2)22-18(20-11)10-17(21-22)13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,23,24)
PDB
MMDB

Reactome pathway
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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39039
PNG
(3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1
Show InChI InChI=1S/C19H21N3O4/c1-11-16(5-6-19(23)24)12(2)22-18(20-11)10-17(21-22)13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 570n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair