BDBM50028314 CHEMBL325506::N-(3-{1-Hydroxy-2-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-ethylamino}-1-isopropyl-2-oxo-3-phenyl-propyl)-3-methyl-butyramide

SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1

InChI Key: InChIKey=GXZVQWUNJMHBNF-CGNAOQOPSA-N

Data: 1 KI  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 2 hits for monomerid = 50028314   

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)	BDBM50028314 (CHEMBL325506 | N-(3-{1-Hydroxy-2-[1-(3-methyl-buty...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C28H46N4O5/c1-17(2)13-14-29-28(37)20(7)30-23(34)16-24(35)32-26(21-11-9-8-10-12-21)27(36)25(19(5)6)31-22(33)15-18(3)4/h8-12,17-20,24-26,32,35H,13-16H2,1-7H3,(H,29,37)(H,30,34)(H,31,33)/t20-,24-,25+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50028314 (CHEMBL325506 | N-(3-{1-Hydroxy-2-[1-(3-methyl-buty...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C28H46N4O5/c1-17(2)13-14-29-28(37)20(7)30-23(34)16-24(35)32-26(21-11-9-8-10-12-21)27(36)25(19(5)6)31-22(33)15-18(3)4/h8-12,17-20,24-26,32,35H,13-16H2,1-7H3,(H,29,37)(H,30,34)(H,31,33)/t20-,24-,25+,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin was measured using hog kidney and the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair