Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 902.0 BDBM50516772

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Sus scrofa)	BDBM50516772 (CHEMBL4460645) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C42H67N11O11/c1-7-22(4)33(45)39(60)50-29(15-16-31(44)55)37(58)49-28(14-10-11-17-43)38(59)53-34(21(2)3)40(61)48-23(5)36(57)47-20-32(56)52-35(24(6)54)41(62)51-30(42(63)64)18-25-19-46-27-13-9-8-12-26(25)27/h8-9,12-13,19,21-24,28-30,33-35,46,54H,7,10-11,14-18,20,43,45H2,1-6H3,(H2,44,55)(H,47,57)(H,48,61)(H,49,58)(H,50,60)(H,51,62)(H,52,56)(H,53,59)(H,63,64)/t22-,23-,24+,28-,29-,30-,33-,34-,35-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of porcine angiotensin converting enzyme assessed as release of hippuric acid using hippuryl-histidyl-leucine as substrate measured after ...				Eur J Med Chem 180: 99-110 (2019) Article DOI: 10.1016/j.ejmech.2019.07.009 BindingDB Entry DOI: 10.7270/Q2VT1WG2
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