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BDBM50402136 CHEMBL2207666

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

InChI Key: InChIKey=YSQQOGOBORIIMG-OAHLLOKOSA-N

Data: 4 KI  3 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 7 hits for monomerid = 50402136   
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))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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1.58n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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1.58n/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 CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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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
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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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 CCR1


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))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
PDB
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n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
PDB
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n/an/a 7.94E+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
More data for this
Ligand-Target Pair