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SMILES: OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FAPBWZUNGKHHJO-UHFFFAOYSA-N

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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 = 50402807   
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 1


(Homo sapiens (Human))
BDBM50402807
PNG
(CHEMBL2208416)
Show SMILES OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O4/c26-21-9-8-20(14-22(21)27)33-19-10-12-29(13-11-19)15-18(30)16-32-24-7-2-1-6-23(24)28-25(31)17-4-3-5-17/h1-2,6-9,14,17-19,30H,3-5,10-13,15-16H2,(H,28,31)
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PC cid
PC sid
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1


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))
BDBM50402807
PNG
(CHEMBL2208416)
Show SMILES OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O4/c26-21-9-8-20(14-22(21)27)33-19-10-12-29(13-11-19)15-18(30)16-32-24-7-2-1-6-23(24)28-25(31)17-4-3-5-17/h1-2,6-9,14,17-19,30H,3-5,10-13,15-16H2,(H,28,31)
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100n/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))
BDBM50402807
PNG
(CHEMBL2208416)
Show SMILES OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H30Cl2N2O4/c26-21-9-8-20(14-22(21)27)33-19-10-12-29(13-11-19)15-18(30)16-32-24-7-2-1-6-23(24)28-25(31)17-4-3-5-17/h1-2,6-9,14,17-19,30H,3-5,10-13,15-16H2,(H,28,31)
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n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


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