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BDBM50394115 CHEMBL2158785

SMILES: Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N

InChI Key: InChIKey=GEMBQNHUTJFAFL-VWLOTQADSA-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 = 50394115   
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))
BDBM50394115
PNG
(CHEMBL2158785)
Show SMILES Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N
Show InChI InChI=1S/C28H33ClFN3O3/c1-19-26(7-4-22(17-31)27(19)29)36-24-10-12-32(13-11-24)18-21-8-14-33(15-9-21)25(28(34)35)16-20-2-5-23(30)6-3-20/h2-7,21,24-25H,8-16,18H2,1H3,(H,34,35)/t25-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.26n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6694-9 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50394115
PNG
(CHEMBL2158785)
Show SMILES Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N
Show InChI InChI=1S/C28H33ClFN3O3/c1-19-26(7-4-22(17-31)27(19)29)36-24-10-12-32(13-11-24)18-21-8-14-33(15-9-21)25(28(34)35)16-20-2-5-23(30)6-3-20/h2-7,21,24-25H,8-16,18H2,1H3,(H,34,35)/t25-/m0/s1
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PubMed
501n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 22: 6694-9 (2012)

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


(Homo sapiens (human))
BDBM50394115
PNG
(CHEMBL2158785)
Show SMILES Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N
Show InChI InChI=1S/C28H33ClFN3O3/c1-19-26(7-4-22(17-31)27(19)29)36-24-10-12-32(13-11-24)18-21-8-14-33(15-9-21)25(28(34)35)16-20-2-5-23(30)6-3-20/h2-7,21,24-25H,8-16,18H2,1H3,(H,34,35)/t25-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.58E+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 3 hrs by TopCount a...


Bioorg Med Chem Lett 22: 6694-9 (2012)

More data for this
Ligand-Target Pair