BDBM50022861 Ac-Ftr-Pro-Phe-His-Leu(psi)[CH(OH)CH2]Val-NH2::CHEMBL320414

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

InChI Key: InChIKey=GGUNSWZCUSEKTM-KWIIOUDCSA-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 = 50022861   

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))	BDBM50022861 (Ac-Ftr-Pro-Phe-His-Leu(psi)[CH(OH)CH2]Val-NH2 | CH...) 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](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(O)C[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C46H61N9O8/c1-27(2)18-35(41(58)22-34(28(3)4)42(47)59)51-44(61)37(21-32-23-48-25-49-32)52-43(60)36(19-30-12-7-6-8-13-30)53-45(62)40-16-11-17-55(40)46(63)38(50-29(5)57)20-31-24-54(26-56)39-15-10-9-14-33(31)39/h6-10,12-15,23-28,34-38,40-41,58H,11,16-22H2,1-5H3,(H2,47,59)(H,48,49)(H,50,57)(H,51,61)(H,52,60)(H,53,62)/t34-,35-,36-,37-,38-,40-,41?/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	0.310	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