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BDBM374698 Step 1: (2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-6-methylcyclohex-3-en-1-yl)pyrrolidine-2-carboxamide hydrochloride::US10246462, Example 79

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

InChI Key: InChIKey=XPBMLJRZVPXWJY-BWGBEREJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374698   
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))		BDBM374698
PNG
(Step 1: (2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorop...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14?,15-,22?,23+/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