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BDBM374683 ((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3-(2-hydroxypropan-2-yl)piperidin-4-yl)-L-proline hydrochloride::US10246462, Example 64

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

InChI Key: InChIKey=LHQIGKTXEQIQRN-RNDVKZQYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374683   
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))		BDBM374683
PNG
(((3R,4S)-1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)e...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CCC([C@@H](C1)C(C)(C)O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C27H31Cl2N7O3/c1-15(17-7-6-16(28)11-19(17)29)36-25-24(20(12-30)33-36)31-13-23(32-25)34-10-8-21(18(14-34)27(2,3)39)35-9-4-5-22(35)26(37)38/h6-7,11,13,15,18,21-22,39H,4-5,8-10,14H2,1-3H3,(H,37,38)/t15-,18-,21?,22+/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a>500n/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