BDBM50022855 Ac-Ftr-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2::CHEMBL263739

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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O

InChI Key: InChIKey=ZOIKWQQWTLRTQH-MTVYKSGESA-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 = 50022855   

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))	BDBM50022855 (Ac-Ftr-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL263...) 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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O Show InChI InChI=1S/C69H75N13O11/c1-42(2)61(68(92)74-52(62(70)86)33-47-37-80(40-83)58-26-15-13-24-50(47)58)79-66(90)55(32-46-22-11-6-12-23-46)76-63(87)53(30-44-18-7-4-8-19-44)75-65(89)56(35-49-36-71-39-72-49)77-64(88)54(31-45-20-9-5-10-21-45)78-67(91)60-28-17-29-82(60)69(93)57(73-43(3)85)34-48-38-81(41-84)59-27-16-14-25-51(48)59/h4-16,18-27,36-42,52-57,60-61H,17,28-35H2,1-3H3,(H2,70,86)(H,71,72)(H,73,85)(H,74,92)(H,75,89)(H,76,87)(H,77,88)(H,78,91)(H,79,90)/t52-,53-,54-,55-,56-,57-,60-,61-/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	500	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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