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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 = 'BDBM50516621'   
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))
BDBM50516621
PNG
(CHEMBL4483537)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14-,15-,22+,23+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/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))
BDBM50516621
PNG
(CHEMBL4483537)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C(N)=O |r,t:24|
Show InChI InChI=1S/C26H27Cl2N7O/c1-14-10-16(5-8-22(14)34-9-3-4-23(34)25(30)36)21-13-31-24-20(12-29)33-35(26(24)32-21)15(2)18-7-6-17(27)11-19(18)28/h5-7,11,13-15,22-23H,3-4,8-10H2,1-2H3,(H2,30,36)/t14-,15-,22+,23+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



RAPT Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated...


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