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BDBM97027 4-amino-6-bromo-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile::4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile::4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile::4-azanyl-6-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile::6-Bromotoyocamycin::MLS002703003::SMR001566812::cid_270861

SMILES: Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)c(C#N)c12

InChI Key: InChIKey=VGLVPHRWFSFJJL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 97027   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM97027
PNG
(4-amino-6-bromo-7-(3,4-dihydroxy-5-methylol-tetrah...)
Show SMILES Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)c(C#N)c12
Show InChI InChI=1S/C12H12BrN5O4/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM97027
PNG
(4-amino-6-bromo-7-(3,4-dihydroxy-5-methylol-tetrah...)
Show SMILES Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)c(C#N)c12
Show InChI InChI=1S/C12H12BrN5O4/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.11E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair