BDBM37002 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester::4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester::MLS000056039::SMR000068560::[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::cid_2563677

SMILES: Cc1cc(C(=O)COC(=O)c2csc3CCCCc23)c(C)n1C

InChI Key: InChIKey=AFOVQNNGIWWVTI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 37002   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Human)	BDBM37002 ([2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM37002 ([2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>9.51E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Human)	BDBM37002 ([2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4,5,6,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair