BDBM50022849 Ac-His-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2::CHEMBL265165

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](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O

InChI Key: InChIKey=LRSWVDGPKAYQSW-UZSMMHNOSA-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 = 50022849   

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))	BDBM50022849 (Ac-His-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2 | CHEMBL265...) 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](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O Show InChI InChI=1S/C63H72N14O10/c1-38(2)55(62(86)70-47(56(64)80)29-43-34-76(37-78)53-23-14-13-22-46(43)53)75-60(84)50(28-42-20-11-6-12-21-42)72-57(81)48(26-40-16-7-4-8-17-40)71-59(83)51(30-44-32-65-35-67-44)73-58(82)49(27-41-18-9-5-10-19-41)74-61(85)54-24-15-25-77(54)63(87)52(69-39(3)79)31-45-33-66-36-68-45/h4-14,16-23,32-38,47-52,54-55H,15,24-31H2,1-3H3,(H2,64,80)(H,65,67)(H,66,68)(H,69,79)(H,70,86)(H,71,83)(H,72,81)(H,73,82)(H,74,85)(H,75,84)/t47-,48-,49-,50-,51-,52-,54-,55-/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	8.30E+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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