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BDBM374629 1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl-[1,4′-bipiperidin]-1′-yl)-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyrazine hydrochloride::US10246462, Example 10

SMILES: CC(c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1)C(F)(F)F

InChI Key: InChIKey=QYVQNJGJVOKIOW-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374629   
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))
BDBM374629
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N6/c1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27/h6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 837n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interv...


J Med Chem 62: 6190-6213 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00506
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM374629
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N6/c1-15-14-35(11-8-20(15)34-9-4-3-5-10-34)21-13-31-22-23(25(28,29)30)33-36(24(22)32-21)16(2)18-7-6-17(26)12-19(18)27/h6-7,12-13,15-16,20H,3-5,8-11,14H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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