BDBM50503327 CHEMBL4435014

SMILES: [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=QWEZIISMUXKJCH-QGZVFWFLSA-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 = 50503327   

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 (MGL) (Mus musculus (mouse))	BDBM50503327 (CHEMBL4435014) Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50503327 (CHEMBL4435014) Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	844	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50503327 (CHEMBL4435014) Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM50503327 (CHEMBL4435014) Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Abide Therapeutics Curated by ChEMBL					Assay Description Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay				J Med Chem 61: 9062-9084 (2018) Article DOI: 10.1021/acs.jmedchem.8b00951
					More data for this Ligand-Target Pair