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BDBM50398349 CHEMBL2178580

SMILES: [#6]-c1ccc(nn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]-c2ccc3cc(F)ccc3c2)-[#6]-1

InChI Key: InChIKey=OIXSYJAHIPQFMO-RUZDIDTESA-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 = 50398349   
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))
BDBM50398349
PNG
(CHEMBL2178580)
Show SMILES Cc1ccc(nn1)C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
Show InChI InChI=1S/C28H30FN5O2/c1-19-2-7-26(32-31-19)28(36)34-12-8-20(9-13-34)15-27(35)30-25-10-11-33(18-25)17-21-3-4-23-16-24(29)6-5-22(23)14-21/h2-7,14-16,25H,8-13,17-18H2,1H3,(H,30,35)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 assessed as inhibition of CCL11-induced calcium influx by cell based assay


J Med Chem 55: 9363-92 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50398349
PNG
(CHEMBL2178580)
Show SMILES Cc1ccc(nn1)C(=O)N1CCC(CC1)=CC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
Show InChI InChI=1S/C28H30FN5O2/c1-19-2-7-26(32-31-19)28(36)34-12-8-20(9-13-34)15-27(35)30-25-10-11-33(18-25)17-21-3-4-23-16-24(29)6-5-22(23)14-21/h2-7,14-16,25H,8-13,17-18H2,1H3,(H,30,35)/t25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor expressed in human PC3 cells inhibition of histamine-induced calcium influx by cell based assay


J Med Chem 55: 9363-92 (2012)

More data for this
Ligand-Target Pair