BDBM50056255 (6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-7-aza-benzocyclotetradecene-6-carboxylic acid::CHEMBL423574

SMILES: OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1

InChI Key: InChIKey=VJXGETICKRSWGC-IAGOWNOFSA-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 = 50056255   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50056255 ((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	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))	BDBM50056255 ((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/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	>1.00E+4	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
Neprilysin (Homo sapiens (Human))	BDBM50056255 ((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/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	>1.00E+4	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))	BDBM50056255 ((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/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	>1.00E+4	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)	BDBM50056255 ((6R,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1 Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	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