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BDBM374697 ((2S)-1-(4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-6-methylcyclohex-3-en-1-yl)pyrrolidin-2-yl)methanol::US10246462, Example 78

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

InChI Key: InChIKey=YGGKIGNBAOFTKS-QTORWVCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374697   
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))		BDBM374697
PNG
(((2S)-1-(4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1CO |r,t:23|
Show InChI InChI=1S/C26H31Cl2N5O/c1-15-11-18(6-9-24(15)32-10-4-5-20(32)14-34)23-13-29-25-16(2)31-33(26(25)30-23)17(3)21-8-7-19(27)12-22(21)28/h6-8,12-13,15,17,20,24,34H,4-5,9-11,14H2,1-3H3/t15?,17-,20+,24?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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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