BDBM50020791 CHEMBL346561::[(3-Acetylsulfanyl-2-methyl-propionyl)-bicyclo[2.2.1]hept-2-yl-amino]-acetic acid

SMILES: CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CC2CCC1C2

InChI Key: InChIKey=ANWXKCAWLVVCJP-UHFFFAOYSA-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 = 50020791   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020791 (CHEMBL346561 | [(3-Acetylsulfanyl-2-methyl-propion...) Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CC2CCC1C2 |TLB:9:14:20:18.17| Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)15(20)16(7-14(18)19)13-6-11-3-4-12(13)5-11/h9,11-13H,3-8H2,1-2H3,(H,18,19)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	8.3	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3				J Med Chem 28: 57-66 (1985) BindingDB Entry DOI: 10.7270/Q2M90975
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020791 (CHEMBL346561 | [(3-Acetylsulfanyl-2-methyl-propion...) Show SMILES CC(CSC(C)=O)C(=O)N(CC(O)=O)C1CC2CCC1C2 |TLB:9:14:20:18.17| Show InChI InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)15(20)16(7-14(18)19)13-6-11-3-4-12(13)5-11/h9,11-13H,3-8H2,1-2H3,(H,18,19)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3				J Med Chem 28: 57-66 (1985) BindingDB Entry DOI: 10.7270/Q2M90975
					More data for this Ligand-Target Pair