BDBM50022848 Ac-Trp-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2::CHEMBL262208

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O

InChI Key: InChIKey=DFFSWKRAIWAIFM-MPDUMXPOSA-N

Data: 1 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 1 hit for monomerid = 50022848   

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
Renin (Homo sapiens (Human))	BDBM50022848 (Ac-Trp-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL262...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O Show InChI InChI=1S/C68H75N13O10/c1-41(2)60(67(90)74-52(61(69)84)34-47-38-80(40-82)58-27-16-14-25-50(47)58)79-65(88)55(32-45-22-11-6-12-23-45)76-62(85)53(30-43-18-7-4-8-19-43)75-64(87)56(35-48-37-70-39-72-48)77-63(86)54(31-44-20-9-5-10-21-44)78-66(89)59-28-17-29-81(59)68(91)57(73-42(3)83)33-46-36-71-51-26-15-13-24-49(46)51/h4-16,18-27,36-41,52-57,59-60,71H,17,28-35H2,1-3H3,(H2,69,84)(H,70,72)(H,73,83)(H,74,90)(H,75,87)(H,76,85)(H,77,86)(H,78,89)(H,79,88)/t52-,53-,54-,55-,56-,57+,59-,60-/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				J Med Chem 31: 18-30 (1988) BindingDB Entry DOI: 10.7270/Q2C53MDQ
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