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BDBM374661 3-((S)-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)pyrrolidin-2-yl)propanoic acid hydrochloride::US10246462, Example 42

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O

InChI Key: InChIKey=KCVBAEYTVOXNPC-BKWPFJTKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374661   
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))		BDBM374661
PNG
(3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(O)=O |r|
Show InChI InChI=1S/C27H34Cl2N6O2/c1-16-15-33(12-10-23(16)34-11-4-5-20(34)7-9-25(36)37)24-14-30-26-17(2)32-35(27(26)31-24)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H,36,37)/t16-,18-,20+,23?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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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