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BDBM66182 2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl-ethyl-amino]-N-tert-butyl-ethanamide::MLS000774379::N-tert-butyl-2-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-ethyl-amino]acetamide::N-tert-butyl-2-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]acetamide::SMR000365430::cid_2562110

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

InChI Key: InChIKey=MITYLLUYVYBCRI-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 = 66182   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM66182
PNG
(2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazoli...)
Show SMILES CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C17H22Br2N4O2/c1-5-23(9-14(24)22-17(2,3)4)8-13-20-15-11(16(25)21-13)6-10(18)7-12(15)19/h6-7H,5,8-9H2,1-4H3,(H,22,24)(H,20,21,25)
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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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
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM66182
PNG
(2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazoli...)
Show SMILES CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C17H22Br2N4O2/c1-5-23(9-14(24)22-17(2,3)4)8-13-20-15-11(16(25)21-13)6-10(18)7-12(15)19/h6-7H,5,8-9H2,1-4H3,(H,22,24)(H,20,21,25)
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n/an/a 2.28E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM66182
PNG
(2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazoli...)
Show SMILES CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C17H22Br2N4O2/c1-5-23(9-14(24)22-17(2,3)4)8-13-20-15-11(16(25)21-13)6-10(18)7-12(15)19/h6-7H,5,8-9H2,1-4H3,(H,22,24)(H,20,21,25)
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n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM66182
PNG
(2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazoli...)
Show SMILES CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C17H22Br2N4O2/c1-5-23(9-14(24)22-17(2,3)4)8-13-20-15-11(16(25)21-13)6-10(18)7-12(15)19/h6-7H,5,8-9H2,1-4H3,(H,22,24)(H,20,21,25)
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n/an/a 1.50E+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/Q28914BQ
More data for this
Ligand-Target Pair