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BDBM39073 5-(methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol::5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol::5-(methoxymethyl)-7-(pyrrolidinomethyl)quinolin-8-ol::MLS000107426::SMR000111795::cid_689261

SMILES: COCc1cc(CN2CCCC2)c(O)c2ncccc12

InChI Key: InChIKey=XMPOUVCCDJLNPZ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 39073   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39073
PNG
(5-(methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quino...)
Show SMILES COCc1cc(CN2CCCC2)c(O)c2ncccc12
Show InChI InChI=1S/C16H20N2O2/c1-20-11-13-9-12(10-18-7-2-3-8-18)16(19)15-14(13)5-4-6-17-15/h4-6,9,19H,2-3,7-8,10-11H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.97E+3n/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39073
PNG
(5-(methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quino...)
Show SMILES COCc1cc(CN2CCCC2)c(O)c2ncccc12
Show InChI InChI=1S/C16H20N2O2/c1-20-11-13-9-12(10-18-7-2-3-8-18)16(19)15-14(13)5-4-6-17-15/h4-6,9,19H,2-3,7-8,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.13E+3n/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)


Article DOI: 10.1021/cc060110n
BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair