BDBM50056249 (6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,13,14-decahydro-8-aza-benzocyclododecene-9-carboxylic acid::CHEMBL342091

SMILES: OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1

InChI Key: InChIKey=SZYXPUAQRACFJD-CABCVRRESA-N

Data: 5 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 5 hits for monomerid = 50056249   

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))	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit thermolysin				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit thermolysin (TLN)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair