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BDBM41711 2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-methyl-amino]-N-isopropyl-acetamide::2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide::2-[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide::2-[[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-methyl-amino]-N-propan-2-yl-ethanamide::SR-01000759107-1::cid_8913207

SMILES: CC(C)NC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C

InChI Key: InChIKey=ZUDVODUBTRUEIV-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 = 41711   
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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41711
PNG
(2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-e...)
Show SMILES CC(C)NC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
Show InChI InChI=1S/C21H29N3O2/c1-15(2)22-21(26)14-23(5)13-20(25)19-11-16(3)24(17(19)4)12-18-9-7-6-8-10-18/h6-11,15H,12-14H2,1-5H3,(H,22,26)
NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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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))
BDBM41711
PNG
(2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-e...)
Show SMILES CC(C)NC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
Show InChI InChI=1S/C21H29N3O2/c1-15(2)22-21(26)14-23(5)13-20(25)19-11-16(3)24(17(19)4)12-18-9-7-6-8-10-18/h6-11,15H,12-14H2,1-5H3,(H,22,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+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