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BDBM50435666 CHEMBL2391804

SMILES: O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1

InChI Key: InChIKey=JDTCZRQCZFSKET-VSVVGSIZNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435666   
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))
BDBM50435666
PNG
(CHEMBL2391804)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
Show InChI InChI=1/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/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
C-C chemokine receptor type 1


(Rattus norvegicus)
BDBM50435666
PNG
(CHEMBL2391804)
Show SMILES O[C@H](COc1cc(O)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
Show InChI InChI=1/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/s2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/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