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SMILES: CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O

InChI Key: InChIKey=ZDDHQRSTXHPGEX-POAYWABDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250394   
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))
BDBM50250394
PNG
(CHEMBL4081034)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H57N7O6S/c1-47(2,3)28-39-44(58)51-38(27-35-30-61-31-48-35)45(59)54-24-14-22-40(54)46(60)53(23-13-21-32-15-7-4-8-16-32)29-41(55)49-36(25-33-17-9-5-10-18-33)42(56)50-37(43(57)52-39)26-34-19-11-6-12-20-34/h4-12,15-20,30-31,36-40H,13-14,21-29H2,1-3H3,(H,49,55)(H,50,56)(H,51,58)(H,52,57)/t36-,37+,38-,39-,40+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/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))
BDBM50250394
PNG
(CHEMBL4081034)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H57N7O6S/c1-47(2,3)28-39-44(58)51-38(27-35-30-61-31-48-35)45(59)54-24-14-22-40(54)46(60)53(23-13-21-32-15-7-4-8-16-32)29-41(55)49-36(25-33-17-9-5-10-18-33)42(56)50-37(43(57)52-39)26-34-19-11-6-12-20-34/h4-12,15-20,30-31,36-40H,13-14,21-29H2,1-3H3,(H,49,55)(H,50,56)(H,51,58)(H,52,57)/t36-,37+,38-,39-,40+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
537n/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