BDBM50514166 CHEMBL4448448

SMILES: O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12

InChI Key: InChIKey=IOEREALBZOBQRI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50514166   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL C201A/C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins follo...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM50514166 (CHEMBL4448448) Show SMILES O=c1n(NCCCCCCNn2sc3ccccc3c2=O)sc2ccccc12 Show InChI InChI=1S/C20H22N4O2S2/c25-19-15-9-3-5-11-17(15)27-23(19)21-13-7-1-2-8-14-22-24-20(26)16-10-4-6-12-18(16)28-24/h3-6,9-12,21-22H,1-2,7-8,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679
					More data for this Ligand-Target Pair