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BDBM50394160 CHEMBL2158787

SMILES: C[C@@](Cc1ccc(F)cc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O

InChI Key: InChIKey=YDHQRFQQOKRWAD-MHZLTWQESA-N

Data: 2 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 2 hits for monomerid = 50394160   
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))
BDBM50394160
PNG
(CHEMBL2158787)
Show SMILES C[C@@](Cc1ccc(F)cc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
Show InChI InChI=1S/C27H33Cl2FN2O3/c1-27(26(33)34,17-19-2-4-21(30)5-3-19)32-14-8-20(9-15-32)18-31-12-10-22(11-13-31)35-23-6-7-24(28)25(29)16-23/h2-7,16,20,22H,8-15,17-18H2,1H3,(H,33,34)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.794n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50394160
PNG
(CHEMBL2158787)
Show SMILES C[C@@](Cc1ccc(F)cc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
Show InChI InChI=1S/C27H33Cl2FN2O3/c1-27(26(33)34,17-19-2-4-21(30)5-3-19)32-14-8-20(9-15-32)18-31-12-10-22(11-13-31)35-23-6-7-24(28)25(29)16-23/h2-7,16,20,22H,8-15,17-18H2,1H3,(H,33,34)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 22: 6694-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.103
More data for this
Ligand-Target Pair