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BDBM50401566 CHEMBL2207092

SMILES: Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2cccc(c2)C#N)c1

InChI Key: InChIKey=YDXIBCILYCGLRW-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50401566   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50401566
PNG
(CHEMBL2207092)
Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C16H12ClN5O2S/c17-14-5-4-13(11-22-7-6-19-21-22)16(9-14)20-25(23,24)15-3-1-2-12(8-15)10-18/h1-9,20H,11H2
PDB

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Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50401566
PNG
(CHEMBL2207092)
Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C16H12ClN5O2S/c17-14-5-4-13(11-22-7-6-19-21-22)16(9-14)20-25(23,24)15-3-1-2-12(8-15)10-18/h1-9,20H,11H2
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UniProtKB/TrEMBL

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PubMed
3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR4 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50401566
PNG
(CHEMBL2207092)
Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2cccc(c2)C#N)c1
Show InChI InChI=1S/C16H12ClN5O2S/c17-14-5-4-13(11-22-7-6-19-21-22)16(9-14)20-25(23,24)15-3-1-2-12(8-15)10-18/h1-9,20H,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CCR1 by 35S-gamma-GTP membrane assay


Bioorg Med Chem Lett 22: 7252-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.020
BindingDB Entry DOI: 10.7270/Q21J9BZJ
More data for this
Ligand-Target Pair