BDBM50115837 2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamino]-3-(1H-indol-3-yl)-propionic acid::CHEMBL59674

SMILES: OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N

InChI Key: InChIKey=BPQNVNSPWLYVKD-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50115837   

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 (Rattus norvegicus)	BDBM50115837 (2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50115837 (2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Neutral endopeptidase.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50115837 (2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
					More data for this Ligand-Target Pair