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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50250387'   
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))
BDBM50250387
PNG
(CHEMBL4102791)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2Cl)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H60ClN11O6/c54-39-19-7-4-15-34(39)16-11-25-64-32-47(66)60-44(28-35-30-58-40-20-8-5-17-37(35)40)49(68)62-43(27-33-13-2-1-3-14-33)48(67)63-45(29-36-31-59-41-21-9-6-18-38(36)41)50(69)61-42(22-10-24-57-53(55)56)51(70)65-26-12-23-46(65)52(64)71/h1-9,13-15,17-21,30-31,42-46,58-59H,10-12,16,22-29,32H2,(H,60,66)(H,61,69)(H,62,68)(H,63,67)(H4,55,56,57)/t42-,43+,44-,45-,46+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250387
PNG
(CHEMBL4102791)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2Cl)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H60ClN11O6/c54-39-19-7-4-15-34(39)16-11-25-64-32-47(66)60-44(28-35-30-58-40-20-8-5-17-37(35)40)49(68)62-43(27-33-13-2-1-3-14-33)48(67)63-45(29-36-31-59-41-21-9-6-18-38(36)41)50(69)61-42(22-10-24-57-53(55)56)51(70)65-26-12-23-46(65)52(64)71/h1-9,13-15,17-21,30-31,42-46,58-59H,10-12,16,22-29,32H2,(H,60,66)(H,61,69)(H,62,68)(H,63,67)(H4,55,56,57)/t42-,43+,44-,45-,46+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.01n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair