new BindingDB logo
myBDB logout

BDBM50041150 CHEMBL3355932

SMILES: CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1

InChI Key: InChIKey=HUEVBCXRDKKBRQ-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 = 50041150   
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 3


(Homo sapiens (Human))
BDBM50041150
PNG
(CHEMBL3355932)
Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Mus musculus)
BDBM50041150
PNG
(CHEMBL3355932)
Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Rattus norvegicus)
BDBM50041150
PNG
(CHEMBL3355932)
Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair