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BDBM50402822 CHEMBL2208434

SMILES: O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MAWNODXTLNGOAA-OAHLLOKOSA-N

Data: 2 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402822   
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402822
PNG
(CHEMBL2208434)
Show SMILES O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-20-6-5-17(11-21(20)26)33-16-7-9-29(10-8-16)14-15(30)13-27-24(32)19-12-23(31)28-22-4-2-1-3-18(19)22/h1-6,11-12,15-16,30H,7-10,13-14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98n/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
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402822
PNG
(CHEMBL2208434)
Show SMILES O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-20-6-5-17(11-21(20)26)33-16-7-9-29(10-8-16)14-15(30)13-27-24(32)19-12-23(31)28-22-4-2-1-3-18(19)22/h1-6,11-12,15-16,30H,7-10,13-14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
7.94n/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
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402822
PNG
(CHEMBL2208434)
Show SMILES O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-20-6-5-17(11-21(20)26)33-16-7-9-29(10-8-16)14-15(30)13-27-24(32)19-12-23(31)28-22-4-2-1-3-18(19)22/h1-6,11-12,15-16,30H,7-10,13-14H2,(H,27,32)(H,28,31)/t15-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair