BDBM50119757 2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanecarbonyl]-amino}-3-(6-thiophen-3-yl-pyridin-3-yl)-propionic acid::CHEMBL421021

SMILES: CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O

InChI Key: InChIKey=FLYBPKUINQCIHV-ANYOKISRSA-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 = 50119757   

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50119757 (2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanec...) Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O Show InChI InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) endothelin converting enzyme-1				Citation and Details Article DOI: 10.1007/s00044-012-0433-z BindingDB Entry DOI: 10.7270/Q2S185DK
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50119757 (2-{[1-((S)-2-Mercapto-hexanoylamino)-cyclopentanec...) Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O Show InChI InChI=1S/C24H31N3O4S2/c1-2-3-6-20(32)21(28)27-24(10-4-5-11-24)23(31)26-19(22(29)30)13-16-7-8-18(25-14-16)17-9-12-33-15-17/h7-9,12,14-15,19-20,32H,2-6,10-11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t19?,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of Endothelin-converting enzyme 1.				Bioorg Med Chem Lett 12: 3059-62 (2002) BindingDB Entry DOI: 10.7270/Q26D5SCZ
					More data for this Ligand-Target Pair