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BDBM50402134 CHEMBL2207661

SMILES: O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NDXPOARUSJMOJN-CQSZACIVSA-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 = 50402134   
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))
BDBM50402134
PNG
(CHEMBL2207661)
Show SMILES O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N4O3/c22-18-4-3-16(9-19(18)23)30-15-5-7-27(8-6-15)12-14(28)10-24-21(29)17-11-25-26-20(17)13-1-2-13/h3-4,9,11,13-15,28H,1-2,5-8,10,12H2,(H,24,29)(H,25,26)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58n/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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402134
PNG
(CHEMBL2207661)
Show SMILES O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N4O3/c22-18-4-3-16(9-19(18)23)30-15-5-7-27(8-6-15)12-14(28)10-24-21(29)17-11-25-26-20(17)13-1-2-13/h3-4,9,11,13-15,28H,1-2,5-8,10,12H2,(H,24,29)(H,25,26)/t14-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.6n/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)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402134
PNG
(CHEMBL2207661)
Show SMILES O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H26Cl2N4O3/c22-18-4-3-16(9-19(18)23)30-15-5-7-27(8-6-15)12-14(28)10-24-21(29)17-11-25-26-20(17)13-1-2-13/h3-4,9,11,13-15,28H,1-2,5-8,10,12H2,(H,24,29)(H,25,26)/t14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+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)

More data for this
Ligand-Target Pair