BDBM50367211 CHEMBL4165339

SMILES: [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)[N+]([O-])=O)nn3)C=O)[C@@]1(C)CCCC2(C)C

InChI Key: InChIKey=DZVJSQDDINENEJ-VZRZFWOCSA-N

Data: 2 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 2 hits for monomerid = 50367211   

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
Pancreatic lipase (Homo sapiens (Human))	BDBM50367211 (CHEMBL4165339) Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)[N+]([O-])=O)nn3)C=O)[C@@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H38N4O5/c1-21-6-13-27-29(2,3)14-5-15-30(27,4)26(21)12-9-23(19-35)16-28(36)39-20-24-18-33(32-31-24)17-22-7-10-25(11-8-22)34(37)38/h7-11,18-19,26-27H,1,5-6,12-17,20H2,2-4H3/b23-9+/t26?,27-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Curated by ChEMBL					Assay Description Inhibition of human pancreatic lipase using emulsified olive oil as substrate pretreated with substrate for 5 mins followed by enzyme addition and me...				ACS Med Chem Lett 9: 662-666 (2018) Article DOI: 10.1021/acsmedchemlett.8b00109 BindingDB Entry DOI: 10.7270/Q2F47RPR
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50367211 (CHEMBL4165339) Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)[N+]([O-])=O)nn3)C=O)[C@@]1(C)CCCC2(C)C |r| Show InChI InChI=1S/C30H38N4O5/c1-21-6-13-27-29(2,3)14-5-15-30(27,4)26(21)12-9-23(19-35)16-28(36)39-20-24-18-33(32-31-24)17-22-7-10-25(11-8-22)34(37)38/h7-11,18-19,26-27H,1,5-6,12-17,20H2,2-4H3/b23-9+/t26?,27-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...				ACS Med Chem Lett 9: 662-666 (2018) Article DOI: 10.1021/acsmedchemlett.8b00109 BindingDB Entry DOI: 10.7270/Q2F47RPR
					More data for this Ligand-Target Pair