BDBM50407078 CHEMBL2112272

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

InChI Key: InChIKey=NDYYXVKIFGODKU-RCWCPIMJSA-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 = 50407078   

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))	BDBM50407078 (CHEMBL2112272) Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC(C)C Show InChI InChI=1S/C29H56N4O6/c1-12-19(7)24(32-27(37)25(20(8)13-2)33-28(38)39-29(9,10)11)26(36)31-21(14-17(3)4)22(34)15-23(35)30-16-18(5)6/h17-22,24-25,34H,12-16H2,1-11H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,20-,21-,22?,24-,25-/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)	BDBM50407078 (CHEMBL2112272) Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC(C)C Show InChI InChI=1S/C29H56N4O6/c1-12-19(7)24(32-27(37)25(20(8)13-2)33-28(38)39-29(9,10)11)26(36)31-21(14-17(3)4)22(34)15-23(35)30-16-18(5)6/h17-22,24-25,34H,12-16H2,1-11H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,20-,21-,22?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407078 (CHEMBL2112272) Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCC(C)C Show InChI InChI=1S/C29H56N4O6/c1-12-19(7)24(32-27(37)25(20(8)13-2)33-28(38)39-29(9,10)11)26(36)31-21(14-17(3)4)22(34)15-23(35)30-16-18(5)6/h17-22,24-25,34H,12-16H2,1-11H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,20-,21-,22?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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