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SMILES: CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=KNPILRPNJNRSHD-XWLHOAQLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250376   
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))
BDBM50250376
PNG
(CHEMBL4078800)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C52H60N8O6S/c1-57-45(32-41-35-67-36-54-41)48(62)56-43(30-40-23-13-27-53-33-40)50(64)60-29-15-26-44(60)52(66)59(28-14-24-38-18-8-4-9-19-38)34-47(61)55-42(25-12-22-37-16-6-3-7-17-37)49(63)58(2)46(51(57)65)31-39-20-10-5-11-21-39/h3-11,13,16-21,23,27,33,35-36,42-46H,12,14-15,22,24-26,28-32,34H2,1-2H3,(H,55,61)(H,56,62)/t42-,43-,44+,45-,46+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/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))
BDBM50250376
PNG
(CHEMBL4078800)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C52H60N8O6S/c1-57-45(32-41-35-67-36-54-41)48(62)56-43(30-40-23-13-27-53-33-40)50(64)60-29-15-26-44(60)52(66)59(28-14-24-38-18-8-4-9-19-38)34-47(61)55-42(25-12-22-37-16-6-3-7-17-37)49(63)58(2)46(51(57)65)31-39-20-10-5-11-21-39/h3-11,13,16-21,23,27,33,35-36,42-46H,12,14-15,22,24-26,28-32,34H2,1-2H3,(H,55,61)(H,56,62)/t42-,43-,44+,45-,46+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
211n/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