BDBM50406909 CHEMBL80779

SMILES: C[C@H](NC(CCc1cccc2ccccc12)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=CTHFSMGTKMPAKM-CJESRSHOSA-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 = 50406909   

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))	BDBM50406909 (CHEMBL80779) Show SMILES C[C@H](NC(CCc1cccc2ccccc12)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-14(20(25)24-13-5-10-19(24)22(28)29)23-18(21(26)27)12-11-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,14,18-19,23H,5,10-13H2,1H3,(H,26,27)(H,28,29)/t14-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of angiotensin I converting enzyme in silico				J Med Chem 40: 3161-72 (1997) Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406909 (CHEMBL80779) Show SMILES C[C@H](NC(CCc1cccc2ccccc12)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-14(20(25)24-13-5-10-19(24)22(28)29)23-18(21(26)27)12-11-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,14,18-19,23H,5,10-13H2,1H3,(H,26,27)(H,28,29)/t14-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair