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BDBM41697 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-3-methyl-imidazolidine-2,4,5-trione::1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione::1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione::1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-3-methyl-imidazolidine-2,4,5-trione::SR-01000759080-1::cid_7756956

SMILES: CN1C(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C(=O)C1=O

InChI Key: InChIKey=FJCVBKSKQXCVJP-UHFFFAOYSA-N

Data: 2 EC50

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 = 41697   
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))
BDBM41697
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES CN1C(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C(=O)C1=O
Show InChI InChI=1S/C19H19N3O4/c1-12-9-15(13(2)21(12)10-14-7-5-4-6-8-14)16(23)11-22-18(25)17(24)20(3)19(22)26/h4-9H,10-11H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>4.40E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RX99HM
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM41697
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES CN1C(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C(=O)C1=O
Show InChI InChI=1S/C19H19N3O4/c1-12-9-15(13(2)21(12)10-14-7-5-4-6-8-14)16(23)11-22-18(25)17(24)20(3)19(22)26/h4-9H,10-11H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.23E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q22R3Q2J
More data for this
Ligand-Target Pair