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BDBM374667 3-((S)-1-((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3-methylpiperidin-4-yl)pyrrolidin-2-yl)propanamide 2,2,2-trifluoroacetate::US10246462, Example 48

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

InChI Key: InChIKey=VMFVDLKQEIGUMK-ZRGVPLMGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374667   
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))		BDBM374667
PNG
(3-((S)-1-((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlor...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(N)=O |r|
Show InChI InChI=1S/C27H32Cl2N8O/c1-16-15-35(11-9-23(16)36-10-3-4-19(36)6-8-24(31)38)25-14-32-26-22(13-30)34-37(27(26)33-25)17(2)20-7-5-18(28)12-21(20)29/h5,7,12,14,16-17,19,23H,3-4,6,8-11,15H2,1-2H3,(H2,31,38)/t16-,17-,19+,23?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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US Patent
n/an/a<100n/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