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BDBM50412209 CHEMBL494466

SMILES: CC(C)COc1ccc(Cl)cc1Cn1nc(NC(=O)c2ccc(cc2)C2CCCN2)cc1C

InChI Key: InChIKey=BLDYLZYPGHVSPG-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50412209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50412209
PNG
(CHEMBL494466)
Show SMILES CC(C)COc1ccc(Cl)cc1Cn1nc(NC(=O)c2ccc(cc2)C2CCCN2)cc1C
Show InChI InChI=1S/C26H31ClN4O2/c1-17(2)16-33-24-11-10-22(27)14-21(24)15-31-18(3)13-25(30-31)29-26(32)20-8-6-19(7-9-20)23-5-4-12-28-23/h6-11,13-14,17,23,28H,4-5,12,15-16H2,1-3H3,(H,29,30,32)
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity of human PGE2 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium mobilisation by FLIPR assay


Bioorg Med Chem Lett 18: 4027-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.118
BindingDB Entry DOI: 10.7270/Q2NC62F7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50412209
PNG
(CHEMBL494466)
Show SMILES CC(C)COc1ccc(Cl)cc1Cn1nc(NC(=O)c2ccc(cc2)C2CCCN2)cc1C
Show InChI InChI=1S/C26H31ClN4O2/c1-17(2)16-33-24-11-10-22(27)14-21(24)15-31-18(3)13-25(30-31)29-26(32)20-8-6-19(7-9-20)23-5-4-12-28-23/h6-11,13-14,17,23,28H,4-5,12,15-16H2,1-3H3,(H,29,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [H3PGE2 from human EP1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 18: 4027-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.118
BindingDB Entry DOI: 10.7270/Q2NC62F7
More data for this
Ligand-Target Pair