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BDBM374689 (4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-6-methylcyclohex-3-en-1-yl)-L-proline trifluoroacetate::US10246462, Example 70

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

InChI Key: InChIKey=DJIKHVTYXJHIFH-IOBDQDCKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374689   
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))		BDBM374689
PNG
((4-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CCC(C(C)C1)N1CCC[C@H]1C(O)=O |r,t:23|
Show InChI InChI=1S/C26H29Cl2N5O2/c1-14-11-17(6-9-22(14)32-10-4-5-23(32)26(34)35)21-13-29-24-15(2)31-33(25(24)30-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H,34,35)/t14?,16-,22?,23+/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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US Patent
n/an/a 300n/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