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2 similar compounds to monomer 50402823

Compile data set for download or QSAR
Wt: 421.3
BDBM50402814
Wt: 405.3
BDBM50402818

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50402814,50402818   
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))
BDBM50402814
PNG
(CHEMBL2208419)
Show SMILES O[C@H](COc1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2N2O3/c22-20-5-4-19(11-21(20)23)28-17-6-8-25(9-7-17)13-16(26)14-27-18-3-1-2-15(10-18)12-24/h1-5,10-11,16-17,26H,6-9,13-14H2/t16-/m0/s1
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3.16n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402818
PNG
(CHEMBL2208420)
Show SMILES Clc1ccc(OC2CCN(CCCOc3cccc(c3)C#N)CC2)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2/c22-20-6-5-19(14-21(20)23)27-17-7-10-25(11-8-17)9-2-12-26-18-4-1-3-16(13-18)15-24/h1,3-6,13-14,17H,2,7-12H2
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12.6n/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))
BDBM50402814
PNG
(CHEMBL2208419)
Show SMILES O[C@H](COc1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2N2O3/c22-20-5-4-19(11-21(20)23)28-17-6-8-25(9-7-17)13-16(26)14-27-18-3-1-2-15(10-18)12-24/h1-5,10-11,16-17,26H,6-9,13-14H2/t16-/m0/s1
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251n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402818
PNG
(CHEMBL2208420)
Show SMILES Clc1ccc(OC2CCN(CCCOc3cccc(c3)C#N)CC2)cc1Cl
Show InChI InChI=1S/C21H22Cl2N2O2/c22-20-6-5-19(14-21(20)23)27-17-7-10-25(11-8-17)9-2-12-26-18-4-1-3-16(13-18)15-24/h1,3-6,13-14,17H,2,7-12H2
Reactome pathway
KEGG

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PC sid
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Article
PubMed
794n/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