Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1030.1 BDBM50017801

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))	BDBM50017801 (CHEMBL437247 | Z-Pro-Phe-His-LeuP(CH2)Val-Ile-His-...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O Show InChI InChI=1S/C51H72N11O10P/c1-7-33(6)44(50(68)57-39(45(52)63)23-36-25-53-29-55-36)61-46(64)38(32(4)5)28-73(70,71)43(21-31(2)3)60-48(66)41(24-37-26-54-30-56-37)58-47(65)40(22-34-15-10-8-11-16-34)59-49(67)42-19-14-20-62(42)51(69)72-27-35-17-12-9-13-18-35/h8-13,15-18,25-26,29-33,38-44H,7,14,19-24,27-28H2,1-6H3,(H2,52,63)(H,53,55)(H,54,56)(H,57,68)(H,58,65)(H,59,67)(H,60,66)(H,61,64)(H,70,71)/t33-,38?,39-,40-,41-,42+,43?,44-/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	600	n/a	n/a	n/a	n/a	7.2	n/a
Ciba-Geigy Pharmaceuticals Division Curated by ChEMBL					Assay Description In vitro inhibition of the compound against human plasma renin at pH 7.2 was determined				J Med Chem 32: 1652-61 (1989) BindingDB Entry DOI: 10.7270/Q20G3J40
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