BDBM50022519 CHEMBL3349393::CHEMBL407283::Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=RGRJAYIFMWMDJD-MLVGWNHGSA-N

Data: 2 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 2 hits for monomerid = 50022519   

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))	BDBM50022519 (CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human renin at pH 7.4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50022519 (CHEMBL3349393 | Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H74N12O9/c1-31(2)20-38(45(66)26-46(67)59-40(21-32(3)4)49(70)61-39(47(54)68)22-34-14-9-7-10-15-34)60-51(72)42(24-36-27-55-29-57-36)62-50(71)41(23-35-16-11-8-12-17-35)63-52(73)44-18-13-19-65(44)53(74)43(64-48(69)33(5)6)25-37-28-56-30-58-37/h7-12,14-17,27-33,38-45,66H,13,18-26H2,1-6H3,(H2,54,68)(H,55,57)(H,56,58)(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,73)(H,64,69)/t38?,39-,40-,41-,42-,43?,44-,45?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4.0				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
					More data for this Ligand-Target Pair