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SMILES: COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl

InChI Key:

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 5 hits for monomerid = 50585252   
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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50585252
PNG
(CHEMBL5076177)
Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50585252
PNG
(CHEMBL5076177)
Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.33E+4n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as increase in calcium flux


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50585252
PNG
(CHEMBL5076177)
Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
PDB

NCI pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50585252
PNG
(CHEMBL5076177)
Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 464n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50585252
PNG
(CHEMBL5076177)
Show SMILES COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.99E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of calcium flux


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01066
BindingDB Entry DOI: 10.7270/Q2VM4H5J
More data for this
Ligand-Target Pair