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BDBM50545783 CHEMBL4649666

SMILES: C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)C1CCCN(CCS(N)(=O)=O)C1

InChI Key: InChIKey=JNVDHPRSSPTENB-TZHYSIJRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50545783   
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))
BDBM50545783
PNG
(CHEMBL4649666)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)C1CCCN(CCS(N)(=O)=O)C1 |r|
Show InChI InChI=1S/C24H31Cl2N7O2S/c1-15-23-24(33(30-15)16(2)20-6-5-19(25)10-21(20)26)29-22(11-28-23)32-13-18(14-32)17-4-3-7-31(12-17)8-9-36(27,34)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H2,27,34,35)/t16-,17?/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 121n/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 63: 8584-8607 (2020)

More data for this
Ligand-Target Pair