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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 = 'BDBM50545764'   
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))		BDBM50545764
PNG
(CHEMBL4643158)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(O)=O)C1 |r|
Show InChI InChI=1S/C25H30Cl2N6O2/c1-15-24-25(33(30-15)16(2)20-6-5-19(26)10-21(20)27)29-22(11-28-24)32-13-18(14-32)17-4-3-8-31(12-17)9-7-23(34)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H,34,35)/t16-,17+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/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)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM50545764
PNG
(CHEMBL4643158)
Show SMILES C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(O)=O)C1 |r|
Show InChI InChI=1S/C25H30Cl2N6O2/c1-15-24-25(33(30-15)16(2)20-6-5-19(26)10-21(20)27)29-22(11-28-24)32-13-18(14-32)17-4-3-8-31(12-17)9-7-23(34)35/h5-6,10-11,16-18H,3-4,7-9,12-14H2,1-2H3,(H,34,35)/t16-,17+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/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 preincubated for 30 mins followed by CCL22 ad...

J Med Chem 63: 8584-8607 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00988
BindingDB Entry DOI: 10.7270/Q2DZ0CW6
More data for this
Ligand-Target Pair