Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1084.2 BDBM50022990

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
Renin (Homo sapiens (Human))	BDBM50022990 (CHEMBL406168 | His-Pro-Phe-His-Statine-Val-Tyr-Lys) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C54H77N13O11/c1-31(2)21-40(45(69)26-46(70)66-47(32(3)4)52(75)65-42(23-34-15-17-37(68)18-16-34)48(71)61-39(54(77)78)13-8-9-19-55)62-50(73)43(25-36-28-58-30-60-36)63-49(72)41(22-33-11-6-5-7-12-33)64-51(74)44-14-10-20-67(44)53(76)38(56)24-35-27-57-29-59-35/h5-7,11-12,15-18,27-32,38-45,47,68-69H,8-10,13-14,19-26,55-56H2,1-4H3,(H,57,59)(H,58,60)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,75)(H,66,70)(H,77,78)/t38-,39-,40?,41-,42-,43-,44-,45?,47-/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	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				J Med Chem 30: 1287-95 (1987) BindingDB Entry DOI: 10.7270/Q24J0D3P
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