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BDBM374656 (2S,4R)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3-methylpiperidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid 2,2,2-trifluoroacetate::US10246462, Example 37

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1C[C@H](O)C[C@H]1C(O)=O

InChI Key: InChIKey=ODFCLFGUEAOZCL-KBIZWZQZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374656   
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))		BDBM374656
PNG
((2S,4R)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1C[C@H](O)C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C25H30Cl2N6O3/c1-13-11-31(7-6-20(13)32-12-17(34)9-21(32)25(35)36)22-10-28-23-14(2)30-33(24(23)29-22)15(3)18-5-4-16(26)8-19(18)27/h4-5,8,10,13,15,17,20-21,34H,6-7,9,11-12H2,1-3H3,(H,35,36)/t13-,15-,17-,20+,21+/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
n/an/a>500n/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