BDBM50159364 CHEMBL192441::isopropyl (2S,4R)-2-{[(2,5-difluorobenzyl)amino]methyl}-4-mercaptopyrrolidine-1-carboxylate

SMILES: CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F

InChI Key: InChIKey=KPTREEYKORVOGB-ARLHGKGLSA-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 = 50159364   

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
Neprilysin (Homo sapiens (Human))	BDBM50159364 (CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...) Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against Neprilysin				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50159364 (CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...) Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human ECE-1 expressed in MDCK cells				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50159364 (CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...) Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human ECE-1 by RIA				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50159364 (CHEMBL192441 | isopropyl (2S,4R)-2-{[(2,5-difluoro...) Show SMILES CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F Show InChI InChI=1S/C16H22F2N2O2S/c1-10(2)22-16(21)20-9-14(23)6-13(20)8-19-7-11-5-12(17)3-4-15(11)18/h3-5,10,13-14,19,23H,6-9H2,1-2H3/t13?,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against human angiotensin I converting enzyme				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
					More data for this Ligand-Target Pair