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BDBM374634 6-((3S,4R)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)-1-((R)-1-(2,4-dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazine hydrochloride::US10246462, Example 15

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCCCCC1

InChI Key: InChIKey=QGPYSGLHDWXZSI-GEQKSPFYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374634   
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))		BDBM374634
PNG
(6-((3S,4R)-4-(Azepan-1-yl)-3-methylpiperidin-1-yl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@H]([C@@H](C)C1)N1CCCCCC1 |r|
Show InChI InChI=1S/C26H34Cl2N6/c1-17-16-33(13-10-23(17)32-11-6-4-5-7-12-32)24-15-29-25-18(2)31-34(26(25)30-24)19(3)21-9-8-20(27)14-22(21)28/h8-9,14-15,17,19,23H,4-7,10-13,16H2,1-3H3/t17-,19+,23+/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