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BDBM50178943 CHEMBL3814577

SMILES: CC(C)(c1ncco1)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cc1

InChI Key: InChIKey=BZGPDKQUBJLQOZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178943   
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 9


(Homo sapiens (Human))
BDBM50178943
PNG
(CHEMBL3814577)
Show SMILES CC(C)(c1ncco1)c1ccc(Cn2c(cc3ccc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C22H19ClN2O3/c1-22(2,21-24-9-10-28-21)16-6-3-14(4-7-16)13-25-18-12-17(23)8-5-15(18)11-19(25)20(26)27/h3-12H,13H2,1-2H3,(H,26,27)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 207n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.043
BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair