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BDBM50402135 CHEMBL2207660

SMILES: Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl

InChI Key: InChIKey=IBTMKWBYOYIWBF-GFCCVEGCSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50402135   
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))
BDBM50402135
PNG
(CHEMBL2207660)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C20H23Cl2F3N4O3/c1-11-15(21)2-3-16(17(11)22)32-13-4-6-29(7-5-13)10-12(30)8-26-19(31)14-9-27-28-18(14)20(23,24)25/h2-3,9,12-13,30H,4-8,10H2,1H3,(H,26,31)(H,27,28)/t12-/m1/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
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402135
PNG
(CHEMBL2207660)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C20H23Cl2F3N4O3/c1-11-15(21)2-3-16(17(11)22)32-13-4-6-29(7-5-13)10-12(30)8-26-19(31)14-9-27-28-18(14)20(23,24)25/h2-3,9,12-13,30H,4-8,10H2,1H3,(H,26,31)(H,27,28)/t12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
39.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402135
PNG
(CHEMBL2207660)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C20H23Cl2F3N4O3/c1-11-15(21)2-3-16(17(11)22)32-13-4-6-29(7-5-13)10-12(30)8-26-19(31)14-9-27-28-18(14)20(23,24)25/h2-3,9,12-13,30H,4-8,10H2,1H3,(H,26,31)(H,27,28)/t12-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair