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BDBM374695 1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((4S,5R)-4-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-5-methylcyclohex-1-en-1-yl)-1H-pyrazolo[3,4-b]pyrazine-3-carbonitrile::US10246462, Example 76

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

InChI Key: InChIKey=KQZLRWGGWXJPOS-RYWMDCTKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374695   
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))		BDBM374695
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]1CO |r,t:24|
Show InChI InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24?/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