BDBM50022512 CHEMBL3349394::CHEMBL349789::Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)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=AXPZKKXXAVKYMP-FRGRQZLASA-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 = 50022512   

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
Pepsin A (Porcine)	BDBM50022512 (CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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
Renin (Homo sapiens (Human))	BDBM50022512 (CHEMBL3349394 | Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C50H72N10O9/c1-29(2)21-36(42(61)26-43(62)55-38(22-30(3)4)48(67)57-37(44(51)63)23-33-15-10-8-11-16-33)56-46(65)32(7)54-47(66)39(24-34-17-12-9-13-18-34)58-49(68)41-19-14-20-60(41)50(69)40(59-45(64)31(5)6)25-35-27-52-28-53-35/h8-13,15-18,27-32,36-42,61H,14,19-26H2,1-7H3,(H2,51,63)(H,52,53)(H,54,66)(H,55,62)(H,56,65)(H,57,67)(H,58,68)(H,59,64)/t32-,36?,37-,38-,39-,40?,41-,42?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	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