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SMILES: O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1

InChI Key: InChIKey=XWVFBOZRYAJUFX-OALUTQOASA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435690   
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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435690
PNG
(CHEMBL2391803)
Show SMILES O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30Cl2N2O6/c27-17-1-2-23-16(9-17)12-26(36-23)4-7-29(8-5-26)13-19(32)15-35-24-11-22(33)21(28)10-20(24)25(34)30-6-3-18(31)14-30/h1-2,9-11,18-19,31-33H,3-8,12-15H2/t18-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 880n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat CCR1


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50435690
PNG
(CHEMBL2391803)
Show SMILES O[C@H](COc1cc(O)c(Cl)cc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C26H30Cl2N2O6/c27-17-1-2-23-16(9-17)12-26(36-23)4-7-29(8-5-26)13-19(32)15-35-24-11-22(33)21(28)10-20(24)25(34)30-6-3-18(31)14-30/h1-2,9-11,18-19,31-33H,3-8,12-15H2/t18-,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 3500-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.047
BindingDB Entry DOI: 10.7270/Q2FJ2J5S
More data for this
Ligand-Target Pair