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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 4' and Ligand = 'BDBM374623'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM374623
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)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,(H2,28,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 228n/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
BindingDB Entry DOI: 10.7270/Q2571GCP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM374623
PNG
(1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3′-methyl...)
Show SMILES CC(c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(nc12)N1CCC(C(C)C1)N1CCCCC1
Show InChI InChI=1S/C25H31Cl2N7O/c1-15-14-33(11-8-20(15)32-9-4-3-5-10-32)21-13-29-23-22(24(28)35)31-34(25(23)30-21)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,(H2,28,35)
UniProtKB/SwissProt

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