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SMILES: COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)[n+]1[O-]

InChI Key: InChIKey=RGAUYVPKOFUSHN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 393571   
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))		BDBM393571
PNG
(US9969687, Compound 243)
Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)[n+]1[O-]
Show InChI InChI=1S/C25H24ClN3O6S/c1-14-19(12-13-20(35-5)29(14)32)28-23(30)21-17(26)10-11-18(22(21)24(28)31)27-36(33,34)16-8-6-15(7-9-16)25(2,3)4/h6-13,27H,1-5H3
PDB

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PC cid
PC sid
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US Patent
 115n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...

J Med Chem 52: 2652-5 (2009)


BindingDB Entry DOI: 10.7270/Q28W3GNH
More data for this
Ligand-Target Pair