BDBM50119750 3-(6-Furan-2-yl-pyridin-3-yl)-2-{[1-(2-mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-propionic acid::CHEMBL105054

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccco1)C(O)=O

InChI Key: InChIKey=KWXAIWHFBXJUMG-NNBQYGFHSA-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 = 50119750   

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))	BDBM50119750 (3-(6-Furan-2-yl-pyridin-3-yl)-2-{[1-(2-mercapto-3-...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccco1)C(O)=O Show InChI InChI=1S/C23H29N3O5S/c1-14(2)19(32)20(27)26-23(9-3-4-10-23)22(30)25-17(21(28)29)12-15-7-8-16(24-13-15)18-6-5-11-31-18/h5-8,11,13-14,17,19,32H,3-4,9-10,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	43	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))	BDBM50119750 (3-(6-Furan-2-yl-pyridin-3-yl)-2-{[1-(2-mercapto-3-...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccco1)C(O)=O Show InChI InChI=1S/C23H29N3O5S/c1-14(2)19(32)20(27)26-23(9-3-4-10-23)22(30)25-17(21(28)29)12-15-7-8-16(24-13-15)18-6-5-11-31-18/h5-8,11,13-14,17,19,32H,3-4,9-10,12H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	43	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