BDBM50027364 CHEMBL267446::Pro-His-Pro-His-Leu-Phe-Val-Tyr

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=SGQUWHDGWRVGGP-XPEIQDACSA-N

Data: 1 KI

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 = 50027364   

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))	BDBM50027364 (CHEMBL267446 | Pro-His-Pro-His-Leu-Phe-Val-Tyr) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C60H77N13O11/c1-35(2)25-44(53(76)67-46(27-38-15-9-6-10-16-38)56(79)72-51(36(3)4)58(81)71-49(60(83)84)28-39-19-21-42(74)22-20-39)66-55(78)47(29-40-31-61-33-64-40)68-54(77)45(26-37-13-7-5-8-14-37)69-57(80)50-18-12-24-73(50)59(82)48(30-41-32-62-34-65-41)70-52(75)43-17-11-23-63-43/h5-10,13-16,19-22,31-36,43-51,63,74H,11-12,17-18,23-30H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,76)(H,68,77)(H,69,80)(H,70,75)(H,71,81)(H,72,79)(H,83,84)/t43-,44+,45+,46+,47+,48+,49+,50-,51+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antihypertensive activity against human renin				J Med Chem 24: 355-61 (1981) BindingDB Entry DOI: 10.7270/Q2PC32XP
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