BDBM50524816 CHEMBL2163507

SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1

InChI Key: InChIKey=FOEQHKOSOICMEF-QIELNMHASA-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 = 50524816   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50524816 (CHEMBL2163507) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r| Show InChI InChI=1S/C31H44N3O7P/c1-21(2)26(32-30(37)39-31(5,6)7)29(36)34-20-14-19-25(34)27(35)33-28(22(3)4)42(38,40-23-15-10-8-11-16-23)41-24-17-12-9-13-18-24/h8-13,15-18,21-22,25-26,28H,14,19-20H2,1-7H3,(H,32,37)(H,33,35)/t25-,26-,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using AAPV-pNA as substrate preincubated for 15 mins followed by substrate addition and measured every 15 sec...				Bioorg Med Chem 27: 4185-4199 (2019) Article DOI: 10.1016/j.bmc.2019.07.049
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50524816 (CHEMBL2163507) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r| Show InChI InChI=1S/C31H44N3O7P/c1-21(2)26(32-30(37)39-31(5,6)7)29(36)34-20-14-19-25(34)27(35)33-28(22(3)4)42(38,40-23-15-10-8-11-16-23)41-24-17-12-9-13-18-24/h8-13,15-18,21-22,25-26,28H,14,19-20H2,1-7H3,(H,32,37)(H,33,35)/t25-,26-,28?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Curated by ChEMBL					Assay Description Inhibition of human trypsin using Nalpha-benzoyl-DL-R-pNA as substrate preincubated for 15 mins followed by substrate addition and measured every 15 ...				Bioorg Med Chem 27: 4185-4199 (2019) Article DOI: 10.1016/j.bmc.2019.07.049
					More data for this Ligand-Target Pair