BDBM50022862 Boc-Phe-Ala-Leu-Val-Ile-His-OMe::CHEMBL101874

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC

InChI Key: InChIKey=HSIRWURLJCQVII-MRHHCFRNSA-N

Data: 4 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 4 hits for monomerid = 50022862   

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)	BDBM50022862 (Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against porcine pepsin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Renin (Mus musculus)	BDBM50022862 (Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against mouse renin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50022862 (Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against bovine cathepsin D				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022862 (Boc-Phe-Ala-Leu-Val-Ile-His-OMe | CHEMBL101874) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C41H64N8O9/c1-12-25(6)33(38(54)46-31(39(55)57-11)20-28-21-42-22-43-28)49-37(53)32(24(4)5)48-36(52)29(18-23(2)3)45-34(50)26(7)44-35(51)30(19-27-16-14-13-15-17-27)47-40(56)58-41(8,9)10/h13-17,21-26,29-33H,12,18-20H2,1-11H3,(H,42,43)(H,44,51)(H,45,50)(H,46,54)(H,47,56)(H,48,52)(H,49,53)/t25-,26-,29-,30-,31-,32-,33-/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair