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SMILES: COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O

InChI Key: InChIKey=HWTPIUJDXLIVLR-UHFFFAOYSA-N

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 = 80021   
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


(Homo sapiens (Human))
BDBM80021
PNG
((4Z)-2-(3,4-dimethoxyphenyl)-4-[[(4,6-dimethyl-2-p...)
Show SMILES COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:15.15|
Show InChI InChI=1S/C24H23N5O4/c1-14-11-15(2)27-24(26-14)28-25-13-19-17-7-5-6-8-18(17)22(30)29(23(19)31)16-9-10-20(32-3)21(12-16)33-4/h5-12,31H,13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 594n/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)
BDBM80021
PNG
((4Z)-2-(3,4-dimethoxyphenyl)-4-[[(4,6-dimethyl-2-p...)
Show SMILES COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:15.15|
Show InChI InChI=1S/C24H23N5O4/c1-14-11-15(2)27-24(26-14)28-25-13-19-17-7-5-6-8-18(17)22(30)29(23(19)31)16-9-10-20(32-3)21(12-16)33-4/h5-12,31H,13H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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