BDBM50068212 CHEMBL3403311

SMILES: CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C

InChI Key: InChIKey=IGNUCXCFODRZGB-ZIUUJSQJSA-N

Data: 3 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 3 hits for monomerid = 50068212   

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 (Homo sapiens (Human))	BDBM50068212 (CHEMBL3403311) Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of MAGL (unknown origin)				Bioorg Med Chem 23: 2562-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.035 BindingDB Entry DOI: 10.7270/Q21N82T3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50068212 (CHEMBL3403311) Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 23: 2562-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.035 BindingDB Entry DOI: 10.7270/Q21N82T3
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50068212 (CHEMBL3403311) Show SMILES CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)COC(=O)[C@@H]1CCCN1C(C)=O)C(C)C |r| Show InChI InChI=1S/C34H54N6O7/c1-8-39(9-2)33(45)27(19-24-14-11-10-12-15-24)37-31(43)26(18-21(3)4)36-32(44)29(22(5)6)38-30(42)25(35)20-47-34(46)28-16-13-17-40(28)23(7)41/h10-12,14-15,21-22,25-29H,8-9,13,16-20,35H2,1-7H3,(H,36,44)(H,37,43)(H,38,42)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin)				Bioorg Med Chem 23: 2562-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.035 BindingDB Entry DOI: 10.7270/Q21N82T3
					More data for this Ligand-Target Pair