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BDBM50402819 CHEMBL2208433

SMILES: CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12

InChI Key: InChIKey=WBCSOAILRDZMDJ-MRXNPFEDSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402819   
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))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
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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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
PDB
MMDB

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PubMed
n/an/a 2.00E+3n/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