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BDBM50402817 CHEMBL2208432

SMILES: O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CLQMFOOMFPNKNA-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 = 50402817   
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))
BDBM50402817
PNG
(CHEMBL2208432)
Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.51n/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 CHOK...


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402817
PNG
(CHEMBL2208432)
Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402817
PNG
(CHEMBL2208432)
Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG in HEK cells by ion flux electrophysiology assay


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
More data for this
Ligand-Target Pair