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SMILES: O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1

InChI Key: InChIKey=WDCJJSVTEALBCX-HMHCJDJISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H60N8O6/c64-50-37-62(30-14-24-39-18-6-2-7-19-39)55(69)49-28-15-31-63(49)54(68)48(33-41-23-13-29-56-35-41)61-53(67)47(34-42-36-57-44-26-11-10-25-43(42)44)60-52(66)46(32-40-20-8-3-9-21-40)59-51(65)45(58-50)27-12-22-38-16-4-1-5-17-38/h1-11,13,16-21,23,25-26,29,35-36,45-49,57H,12,14-15,22,24,27-28,30-34,37H2,(H,58,64)(H,59,65)(H,60,66)(H,61,67)/t45-,46+,47-,48-,49+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H60N8O6/c64-50-37-62(30-14-24-39-18-6-2-7-19-39)55(69)49-28-15-31-63(49)54(68)48(33-41-23-13-29-56-35-41)61-53(67)47(34-42-36-57-44-26-11-10-25-43(42)44)60-52(66)46(32-40-20-8-3-9-21-40)59-51(65)45(58-50)27-12-22-38-16-4-1-5-17-38/h1-11,13,16-21,23,25-26,29,35-36,45-49,57H,12,14-15,22,24,27-28,30-34,37H2,(H,58,64)(H,59,65)(H,60,66)(H,61,67)/t45-,46+,47-,48-,49+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/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