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BDBM50402133 CHEMBL2207664

SMILES: Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl

InChI Key: InChIKey=DLONTNINHYMHFB-CYBMUJFWSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50402133   
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))
BDBM50402133
PNG
(CHEMBL2207664)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-12-17(23)2-3-18(20(12)24)34-14-4-6-30(7-5-14)11-13(31)9-29-21(33)15-10-28-19(32)8-16(15)22(25,26)27/h2-3,8,10,13-14,31H,4-7,9,11H2,1H3,(H,28,32)(H,29,33)/t13-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26n/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))
BDBM50402133
PNG
(CHEMBL2207664)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-12-17(23)2-3-18(20(12)24)34-14-4-6-30(7-5-14)11-13(31)9-29-21(33)15-10-28-19(32)8-16(15)22(25,26)27/h2-3,8,10,13-14,31H,4-7,9,11H2,1H3,(H,28,32)(H,29,33)/t13-/m1/s1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
10n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402133
PNG
(CHEMBL2207664)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl |r|
Show InChI InChI=1S/C22H24Cl2F3N3O4/c1-12-17(23)2-3-18(20(12)24)34-14-4-6-30(7-5-14)11-13(31)9-29-21(33)15-10-28-19(32)8-16(15)22(25,26)27/h2-3,8,10,13-14,31H,4-7,9,11H2,1H3,(H,28,32)(H,29,33)/t13-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
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)


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