BDBM50415630 CHEMBL1077584

SMILES: CCCC[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O

InChI Key: InChIKey=LABMEDHNXNWFBJ-ZFSWLMJESA-N

Data: 2 KI

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 = 50415630   

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
Aminopeptidase N (Homo sapiens (Human))	BDBM50415630 (CHEMBL1077584) Show SMILES CCCC[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C43H56N6O8/c1-4-6-16-32(44)24-37(51)45-34(21-29-17-19-33(50)20-18-29)40(53)48-39(27(3)5-2)41(54)47-35-23-30-14-10-11-15-31(30)25-49(42(35)55)26-38(52)46-36(43(56)57)22-28-12-8-7-9-13-28/h7-15,17-20,27,32,34-36,39,50H,4-6,16,21-26,44H2,1-3H3,(H,45,51)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t27-,32+,34-,35-,36-,39-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline				J Med Chem 52: 5612-8 (2009) Article DOI: 10.1021/jm900651p BindingDB Entry DOI: 10.7270/Q2TB185F
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50415630 (CHEMBL1077584) Show SMILES CCCC[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C43H56N6O8/c1-4-6-16-32(44)24-37(51)45-34(21-29-17-19-33(50)20-18-29)40(53)48-39(27(3)5-2)41(54)47-35-23-30-14-10-11-15-31(30)25-49(42(35)55)26-38(52)46-36(43(56)57)22-28-12-8-7-9-13-28/h7-15,17-20,27,32,34-36,39,50H,4-6,16,21-26,44H2,1-3H3,(H,45,51)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t27-,32+,34-,35-,36-,39-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline				J Med Chem 52: 5612-8 (2009) Article DOI: 10.1021/jm900651p BindingDB Entry DOI: 10.7270/Q2TB185F
					More data for this Ligand-Target Pair