BDBM50407079 CHEMBL2112261

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O

InChI Key: InChIKey=QIOMPQZQWLOGOE-JUQSBVICSA-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 = 50407079   

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))	BDBM50407079 (CHEMBL2112261) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C28H51N3O7/c1-8-18(4)24(26(36)29-20(14-17(2)3)22(32)16-23(33)34)31-25(35)21(15-19-12-10-9-11-13-19)30-27(37)38-28(5,6)7/h17-22,24,32H,8-16H2,1-7H3,(H,29,36)(H,30,37)(H,31,35)(H,33,34)/t18-,20-,21-,22?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407079 (CHEMBL2112261) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C28H51N3O7/c1-8-18(4)24(26(36)29-20(14-17(2)3)22(32)16-23(33)34)31-25(35)21(15-19-12-10-9-11-13-19)30-27(37)38-28(5,6)7/h17-22,24,32H,8-16H2,1-7H3,(H,29,36)(H,30,37)(H,31,35)(H,33,34)/t18-,20-,21-,22?,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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
Cathepsin D (Bos taurus)	BDBM50407079 (CHEMBL2112261) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C28H51N3O7/c1-8-18(4)24(26(36)29-20(14-17(2)3)22(32)16-23(33)34)31-25(35)21(15-19-12-10-9-11-13-19)30-27(37)38-28(5,6)7/h17-22,24,32H,8-16H2,1-7H3,(H,29,36)(H,30,37)(H,31,35)(H,33,34)/t18-,20-,21-,22?,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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