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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50264005'   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50264005
PNG
(CHEMBL4062608)
Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r|
Show InChI InChI=1S/C51H60N10O7/c1-60-43(15-9-27-56-51(54)68)46(64)59-42(30-34-18-23-36-12-6-7-13-38(36)28-34)49(67)61(2)44(31-33-16-21-37(22-17-33)35-10-4-3-5-11-35)47(65)58-41(29-32-19-24-39(62)25-20-32)45(63)57-40(48(60)66)14-8-26-55-50(52)53/h3-7,10-13,16-25,28,40-44,62H,8-9,14-15,26-27,29-31H2,1-2H3,(H,57,63)(H,58,65)(H,59,64)(H4,52,53,55)(H3,54,56,68)/t40-,41+,42-,43-,44-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method

J Med Chem 61: 3745-3751 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00336
BindingDB Entry DOI: 10.7270/Q23B62M5
More data for this
Ligand-Target Pair