BindingDB logo
myBDB logout

BDBM374692 3-((2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-2-methylcyclohex-3-en-1-yl)pyrrolidin-2-yl)propanoic acid 2,2,2-trifluoroacetate::US10246462, Example 73

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC(C)C(CC1)N1CCC[C@H]1CCC(O)=O

InChI Key: InChIKey=ASWGCWVZKOIVHF-IPFYLJOHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 374692   
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))		BDBM374692
PNG
(3-((2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl...)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC(C)C(CC1)N1CCC[C@H]1CCC(O)=O |r,t:24|
Show InChI InChI=1S/C28H30Cl2N6O2/c1-16-12-18(5-9-25(16)35-11-3-4-20(35)7-10-26(37)38)24-15-32-27-23(14-31)34-36(28(27)33-24)17(2)21-8-6-19(29)13-22(21)30/h6,8,12-13,15-17,20,25H,3-5,7,9-11H2,1-2H3,(H,37,38)/t16?,17-,20+,25?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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