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BDBM66181 2-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-ethyl-amino]-N-isopropyl-acetamide::2-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide::2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl-ethyl-amino]-N-propan-2-yl-ethanamide::MLS000760225::SMR000368642::cid_2505717

SMILES: CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1

InChI Key: InChIKey=NNTFNPBPNRHFFO-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 = 66181   
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 corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM66181
PNG
(2-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-e...)
Show SMILES CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C16H20Br2N4O2/c1-4-22(8-14(23)19-9(2)3)7-13-20-15-11(16(24)21-13)5-10(17)6-12(15)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,24)
PDB
MMDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.43E+3n/an/an/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM66181
PNG
(2-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-e...)
Show SMILES CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C16H20Br2N4O2/c1-4-22(8-14(23)19-9(2)3)7-13-20-15-11(16(24)21-13)5-10(17)6-12(15)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.98E+4n/an/an/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair