BDBM50228789 CHEMBL313326

SMILES: CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=TZVBFXSRCCPHBA-UYFSSDKWSA-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 = 50228789   

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))	BDBM50228789 (CHEMBL313326) Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C44H55N7O7/c1-29(2)22-24-46-40(53)36(26-32-27-47-34-18-10-9-17-33(32)34)48-42(55)38(19-11-12-23-45)51-39(52)21-20-35(50-44(57)58-28-31-15-7-4-8-16-31)41(54)49-37(43(51)56)25-30-13-5-3-6-14-30/h3-10,13-18,27,29,35-38,47H,11-12,19-26,28,45H2,1-2H3,(H,46,53)(H,48,55)(H,49,54)(H,50,57)/t35-,36+,37-,38+/m1/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	870	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 33: 2560-8 (1990) BindingDB Entry DOI: 10.7270/Q20V8BR8
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