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SMILES: O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1

InChI Key: InChIKey=QUWFBAJQLUHXBF-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435673   
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))
BDBM50435673
PNG
(CHEMBL2391795)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O5/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-28(10-8-25)14-20(30)15-32-23-12-19(29)4-5-21(23)24(31)27-18-2-3-18/h1,4-6,11-12,18,20,29-30H,2-3,7-10,13-15H2,(H,27,31)/t20-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/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
Macrophage inflammatory protein-1 alpha receptor


(Rattus norvegicus)
BDBM50435673
PNG
(CHEMBL2391795)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O5/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-28(10-8-25)14-20(30)15-32-23-12-19(29)4-5-21(23)24(31)27-18-2-3-18/h1,4-6,11-12,18,20,29-30H,2-3,7-10,13-15H2,(H,27,31)/t20-/m0/s1
Reactome pathway
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UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/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