BDBM50211240 CHEMBL3897587

SMILES: OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=LGBQVORQOWSIEF-FQLXRVMXSA-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 = 50211240   

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
Sn1-specific diacylglycerol lipase alpha (Homo sapiens (Human))	BDBM50211240 (CHEMBL3897587) Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...				J Med Chem 60: 428-440 (2017) Article DOI: 10.1021/acs.jmedchem.6b01482 BindingDB Entry DOI: 10.7270/Q28K7C79
					More data for this Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6 (Mus musculus (mouse))	BDBM50211240 (CHEMBL3897587) Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after ...				J Med Chem 60: 428-440 (2017) Article DOI: 10.1021/acs.jmedchem.6b01482 BindingDB Entry DOI: 10.7270/Q28K7C79
					More data for this Ligand-Target Pair
Monoacylglycerol lipase ABHD6 (Homo sapiens (Human))	BDBM50211240 (CHEMBL3897587) Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay				J Med Chem 60: 428-440 (2017) Article DOI: 10.1021/acs.jmedchem.6b01482 BindingDB Entry DOI: 10.7270/Q28K7C79
					More data for this Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha (Mus musculus)	BDBM50211240 (CHEMBL3897587) Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured af...				J Med Chem 60: 428-440 (2017) Article DOI: 10.1021/acs.jmedchem.6b01482 BindingDB Entry DOI: 10.7270/Q28K7C79
					More data for this Ligand-Target Pair