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BDBM374684 2-((3S,3′R,4′S)-1′-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3′-(hydroxymethyl)-[1,4′-bipiperidin]-3-yl)acetic acid hydrochloride::US10246462, Example 65

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](CO)C1)N1CCC[C@@H](C)C1

InChI Key: InChIKey=WVLBEFKQXCJGKV-KJNCVPBBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374684   
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 4


(Homo sapiens (Human))		BDBM374684
PNG
(2-((3S,3′R,4′S)-1′-(1-((R)-1-(2,...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](CO)C1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C26H34Cl2N6O/c1-16-5-4-9-32(13-16)23-8-10-33(14-19(23)15-35)24-12-29-25-17(2)31-34(26(25)30-24)18(3)21-7-6-20(27)11-22(21)28/h6-7,11-12,16,18-19,23,35H,4-5,8-10,13-15H2,1-3H3/t16-,18-,19+,23?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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US Patent
n/an/a 300n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q24F1T13
More data for this
Ligand-Target Pair