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BDBM79974 10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione::MLS000537663::SMR000143904::cid_2957057

SMILES: [H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7]-[#6]-3=O)\[#6]2=[#6](/c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1

InChI Key: InChIKey=ACTMDNIAXPEGIL-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 = 79974   
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
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79974
PNG
(10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5....)
Show SMILES Cc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)NC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
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, CA...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM79974
PNG
(10-[bis(4-methylphenyl)methylene]-4-azatricyclo[5....)
Show SMILES Cc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)NC1=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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