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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50263940   
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))
BDBM50263940
PNG
(CHEMBL4084265)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|
Show InChI InChI=1S/C40H48N10O6/c1-49-33(8-4-16-44-40(41)42)36(53)48-31(20-25-10-13-26-6-2-3-7-27(26)18-25)39(56)50-17-5-9-34(50)37(54)46-30(19-24-11-14-29(51)15-12-24)35(52)47-32(38(49)55)21-28-22-43-23-45-28/h2-3,6-7,10-15,18,22-23,30-34,51H,4-5,8-9,16-17,19-21H2,1H3,(H,43,45)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t30-,31+,32+,33+,34+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50263940
PNG
(CHEMBL4084265)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|
Show InChI InChI=1S/C40H48N10O6/c1-49-33(8-4-16-44-40(41)42)36(53)48-31(20-25-10-13-26-6-2-3-7-27(26)18-25)39(56)50-17-5-9-34(50)37(54)46-30(19-24-11-14-29(51)15-12-24)35(52)47-32(38(49)55)21-28-22-43-23-45-28/h2-3,6-7,10-15,18,22-23,30-34,51H,4-5,8-9,16-17,19-21H2,1H3,(H,43,45)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t30-,31+,32+,33+,34+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 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