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SMILES: CC(C)(C)n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O

InChI Key: InChIKey=SEDLXLQNUWUZNN-UHFFFAOYSA-N

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 2 hits for monomerid = 39480   
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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39480
PNG
(2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-...)
Show SMILES CC(C)(C)n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O
Show InChI InChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>136n/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/Q24T6GSH
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39480
PNG
(2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-...)
Show SMILES CC(C)(C)n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O
Show InChI InChI=1S/C18H20ClN5O2/c1-18(2,3)24-16-13(9-22-24)17(26)23(11-21-16)10-15(25)20-8-12-6-4-5-7-14(12)19/h4-7,9,11H,8,10H2,1-3H3,(H,20,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 138n/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/Q23T9FMP
More data for this
Ligand-Target Pair