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BDBM374651 ((S)-1-((3S,4R)-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)methanol hydrochloride::US10246462, Example 32

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCC[C@H]1CO

InChI Key: InChIKey=ZZKHNORWGGHYQN-XXXCYDSFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374651   
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))		BDBM374651
PNG
(((S)-1-((3S,4R)-1-(1-((R)-1-(2,4-Dichlorophenyl)et...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C25H32Cl2N6O/c1-15-13-31(10-8-22(15)32-9-4-5-19(32)14-34)23-12-28-24-16(2)30-33(25(24)29-23)17(3)20-7-6-18(26)11-21(20)27/h6-7,11-12,15,17,19,22,34H,4-5,8-10,13-14H2,1-3H3/t15-,17+,19-,22+/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
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