BDBM50046833 3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-pentanoylamino)-3-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionic acid::CHEMBL145567

SMILES: CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(O)=O

InChI Key: InChIKey=XVTCDIZSUXTOLE-FMUXTNLRSA-N

Data: 3 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 3 hits for monomerid = 50046833   

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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50046833 (3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(O)=O Show InChI InChI=1S/C28H52N4O8/c1-10-17(5)23(31-26(38)24(18(6)11-2)32-27(39)40-28(7,8)9)25(37)30-19(14-16(3)4)20(33)15-21(34)29-13-12-22(35)36/h16-20,23-24,33H,10-15H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t17?,18?,19-,20?,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50046833 (3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(O)=O Show InChI InChI=1S/C28H52N4O8/c1-10-17(5)23(31-26(38)24(18(6)11-2)32-27(39)40-28(7,8)9)25(37)30-19(14-16(3)4)20(33)15-21(34)29-13-12-22(35)36/h16-20,23-24,33H,10-15H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t17?,18?,19-,20?,23-,24-/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	>1.00E+4	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of partially purified human renin at pH 6.0.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50046833 (3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(O)=O Show InChI InChI=1S/C28H52N4O8/c1-10-17(5)23(31-26(38)24(18(6)11-2)32-27(39)40-28(7,8)9)25(37)30-19(14-16(3)4)20(33)15-21(34)29-13-12-22(35)36/h16-20,23-24,33H,10-15H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t17?,18?,19-,20?,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair