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SMILES: COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F

InChI Key: InChIKey=SWNZCTGAAFTWJW-KNTRCKAVSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50380131   
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))
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 23.7n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human CXCR7 expressed in HEK293 cells assessed as reduction of receptor surface expression after 1 hr by ELISA based internalizat...


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human CXCR7 expressed in HEK293T cells co-expressing beta-arrestin2-YFP assessed as beta-arrestin2 recruitment after 1 hr by BRET...


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair