BDBM50022844 Ac-Trp-Pro-Phe-His-Sta-Ile-NH2::CHEMBL317280

SMILES: CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)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(N)=O

InChI Key: InChIKey=TVKUVJQHSALMJM-SSBFDGESSA-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 = 50022844   

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))	BDBM50022844 (Ac-Trp-Pro-Phe-His-Sta-Ile-NH2 | CHEMBL317280) Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)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(N)=O Show InChI InChI=1S/C47H64N10O8/c1-6-28(4)42(43(48)61)56-41(60)23-40(59)35(19-27(2)3)53-45(63)37(22-32-25-49-26-51-32)54-44(62)36(20-30-13-8-7-9-14-30)55-46(64)39-17-12-18-57(39)47(65)38(52-29(5)58)21-31-24-50-34-16-11-10-15-33(31)34/h7-11,13-16,24-28,35-40,42,50,59H,6,12,17-23H2,1-5H3,(H2,48,61)(H,49,51)(H,52,58)(H,53,63)(H,54,62)(H,55,64)(H,56,60)/t28-,35-,36-,37-,38-,39-,40?,42-/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	1.60	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
					More data for this Ligand-Target Pair