BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N

InChI Key: InChIKey=IQFPTDKQZKIGSD-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 5 hits for monomerid = 50463582   
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 7


(Homo sapiens (Human))
BDBM50463582
PNG
(CHEMBL4245957)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...


Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Macaca mulatta)
BDBM50463582
PNG
(CHEMBL4245957)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubat...


Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM50463582
PNG
(CHEMBL4245957)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubate...


Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM50463582
PNG
(CHEMBL4245957)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CCR6 expressed in CHO cells assessed as decrease in human CCL20-dependent cell migration incubated for 4 hrs by Diff-Quik stainin...


Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50463582
PNG
(CHEMBL4245957)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CCR1 expressed in CHO cells assessed as decrease in RANTES-induced reduction of forskolin-stimulated cAMP accumulation preincubat...


Bioorg Med Chem Lett 28: 3067-3072 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.042
BindingDB Entry DOI: 10.7270/Q2DF6TWP
More data for this
Ligand-Target Pair