BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=JCZKKGZHOSBLBV-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 = 50374817   
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 1


(Homo sapiens (Human))
BDBM50374817
PNG
(CHEMBL258064)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O3S/c1-17-3-9-20(10-4-17)28(26,27)23-13-2-14-24-15-11-21(25,12-16-24)18-5-7-19(22)8-6-18/h3-10,23,25H,2,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50374817
PNG
(CHEMBL258064)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H27ClN2O3S/c1-17-3-9-20(10-4-17)28(26,27)23-13-2-14-24-15-11-21(25,12-16-24)18-5-7-19(22)8-6-18/h3-10,23,25H,2,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair