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BDBM374663 3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3-methylpiperidin-4-yl)pyrrolidin-2-yl)propanamide hydrochloride::US10246462, Example 44

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

InChI Key: InChIKey=HZQOQFVBTHBSHW-BKWPFJTKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374663   
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))		BDBM374663
PNG
(3-((S)-1-((3R,4S)-1-(1-((R)-1-(2,4-Dichlorophenyl)...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CCC([C@H](C)C1)N1CCC[C@H]1CCC(N)=O |r|
Show InChI InChI=1S/C27H35Cl2N7O/c1-16-15-34(12-10-23(16)35-11-4-5-20(35)7-9-24(30)37)25-14-31-26-17(2)33-36(27(26)32-25)18(3)21-8-6-19(28)13-22(21)29/h6,8,13-14,16,18,20,23H,4-5,7,9-12,15H2,1-3H3,(H2,30,37)/t16-,18-,20+,23?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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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