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BDBM50402111 CHEMBL2207657

SMILES: Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1

InChI Key: InChIKey=GWVFJNPANMKQSY-QGZVFWFLSA-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 = 50402111   
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))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/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 CHOK1...


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

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
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Article
PubMed
2.51n/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))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a>3.16E+4n/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