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BDBM50402108 CHEMBL2207662

SMILES: O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SKXJKSJHHFLVAP-GFCCVEGCSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50402108   
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))
BDBM50402108
PNG
(CHEMBL2207662)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2F3N3O4/c22-17-2-1-14(7-18(17)23)33-13-3-5-29(6-4-13)11-12(30)9-28-20(32)15-10-27-19(31)8-16(15)21(24,25)26/h1-2,7-8,10,12-13,30H,3-6,9,11H2,(H,27,31)(H,28,32)/t12-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
3.16n/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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402108
PNG
(CHEMBL2207662)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2F3N3O4/c22-17-2-1-14(7-18(17)23)33-13-3-5-29(6-4-13)11-12(30)9-28-20(32)15-10-27-19(31)8-16(15)21(24,25)26/h1-2,7-8,10,12-13,30H,3-6,9,11H2,(H,27,31)(H,28,32)/t12-/m1/s1
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PC sid
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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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


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

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402108
PNG
(CHEMBL2207662)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2F3N3O4/c22-17-2-1-14(7-18(17)23)33-13-3-5-29(6-4-13)11-12(30)9-28-20(32)15-10-27-19(31)8-16(15)21(24,25)26/h1-2,7-8,10,12-13,30H,3-6,9,11H2,(H,27,31)(H,28,32)/t12-/m1/s1
PDB
MMDB

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PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


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

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50402108
PNG
(CHEMBL2207662)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2F3N3O4/c22-17-2-1-14(7-18(17)23)33-13-3-5-29(6-4-13)11-12(30)9-28-20(32)15-10-27-19(31)8-16(15)21(24,25)26/h1-2,7-8,10,12-13,30H,3-6,9,11H2,(H,27,31)(H,28,32)/t12-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.00E+4n/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)

More data for this
Ligand-Target Pair