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BDBM374649 (3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-4-((R)-2-methylpyrrolidin-1-yl)piperidine-3-carboxylic acid hydrochloride::US10246462, Example 30

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(CC1)N1CCC[C@H]1C

InChI Key: InChIKey=XYYLUUIABBMWBM-NVXWUHKLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374649   
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))		BDBM374649
PNG
((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-m...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(CC1)N1CCC[C@H]1C |r|
Show InChI InChI=1S/C24H30Cl2N6/c1-15-5-4-10-31(15)19-8-11-30(12-9-19)22-14-27-23-16(2)29-32(24(23)28-22)17(3)20-7-6-18(25)13-21(20)26/h6-7,13-15,17,19H,4-5,8-12H2,1-3H3/t15-,17-/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