BDBM50011367 1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid::1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid anion::CHEMBL162360

SMILES: C[C@H](CS)C(=O)N1CCCC1C(O)=O

InChI Key: InChIKey=FAKRSMQSSFJEIM-ULUSZKPHSA-N

Data: 2 IC50

PDB links: 875 PDB IDs match this monomer.

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 = 50011367   

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 (Homo sapiens (Human))	BDBM50011367 (1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...) Show SMILES C[C@H](CS)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50011367 (1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...) Show SMILES C[C@H](CS)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues				J Med Chem 34: 663-9 (1991) BindingDB Entry DOI: 10.7270/Q21V5FKF
					More data for this Ligand-Target Pair