BDBM50024192 4-(2-{4-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-phenyl-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-3-hydroxy-6-methyl-heptanoic acid methyl ester::CHEMBL16201::CHEMBL3142773

SMILES: COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O

InChI Key: InChIKey=QXTJWKGAYDYVPT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50024192   

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))	BDBM50024192 (4-(2-{4-[2-(2-Acetylamino-3-phenyl-propionylamino)...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C40H59N5O9/c1-24(2)18-30(34(47)22-36(49)41-26(5)38(51)43-31(19-25(3)4)35(48)23-37(50)54-7)44-40(53)33(21-29-16-12-9-13-17-29)45-39(52)32(42-27(6)46)20-28-14-10-8-11-15-28/h8-17,24-26,30-35,47-48H,18-23H2,1-7H3,(H,41,49)(H,42,46)(H,43,51)(H,44,53)(H,45,52)	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	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI Recherche Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 30: 2287-91 (1988) BindingDB Entry DOI: 10.7270/Q2D50P7G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024192 (4-(2-{4-[2-(2-Acetylamino-3-phenyl-propionylamino)...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C40H59N5O9/c1-24(2)18-30(34(47)22-36(49)41-26(5)38(51)43-31(19-25(3)4)35(48)23-37(50)54-7)44-40(53)33(21-29-16-12-9-13-17-29)45-39(52)32(42-27(6)46)20-28-14-10-8-11-15-28/h8-17,24-26,30-35,47-48H,18-23H2,1-7H3,(H,41,49)(H,42,46)(H,43,51)(H,44,53)(H,45,52)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cynomolgus monkey plasma renin activity				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair