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BDBM374640 1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-methyl-4-((S)-2-methylpyrrolidin-1-yl)piperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine hydrochloride::US10246462, Example 21

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

InChI Key: InChIKey=MHYORVPBRVOLMW-PVEYFEBJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374640   
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))		BDBM374640
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC(C(C)C1)N1CCC[C@@H]1C |r|
Show InChI InChI=1S/C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3/t15?,16-,18+,22?/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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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