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BDBM374706 1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-4-((2S)-2-(1-hydroxy-2-(methylsulfonyl)ethyl)pyrrolidin-1-yl)-5-methylcyclohex-1-en-1-yl)-1H-pyrazolo[3,4-b]pyrazine-3-carbonitrile hydrochloride::US10246462, Example 87

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

InChI Key: InChIKey=HILATWQTNMYNOM-PWVPDILKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374706   
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))		BDBM374706
PNG
(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-4-(...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC([C@H](C)C1)N1CCC[C@H]1C(O)CS(C)(=O)=O |r,t:24|
Show InChI InChI=1S/C28H32Cl2N6O3S/c1-16-11-18(6-9-24(16)35-10-4-5-25(35)26(37)15-40(3,38)39)23-14-32-27-22(13-31)34-36(28(27)33-23)17(2)20-8-7-19(29)12-21(20)30/h6-8,12,14,16-17,24-26,37H,4-5,9-11,15H2,1-3H3/t16-,17-,24?,25+,26?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
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