BDBM50478359 CHEMBL408871

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1

InChI Key: InChIKey=MRLMWPKWBFMCQO-USNFHXRZSA-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 = 50478359   

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 (Homo sapiens (Human))	BDBM50478359 (CHEMBL408871) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(53)31(46-39(55)35(42)24(2)3)19-27-13-15-30(50)16-14-27)40(56)47-32(20-29-22-43-23-44-29)41(57)49-17-9-12-33(49)38(54)45-28(21-34(51)52)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,54)(H,46,55)(H,47,56)(H,48,53)(H,51,52)/t25-,28-,31-,32-,33-,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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 human recombinant IRAP expressed in HEK293 cells				J Med Chem 51: 2291-6 (2008) Article DOI: 10.1021/jm701490g BindingDB Entry DOI: 10.7270/Q25M68HP
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50478359 (CHEMBL408871) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)Cc1ccccc1 Show InChI InChI=1S/C41H56N8O8/c1-5-25(4)36(48-37(53)31(46-39(55)35(42)24(2)3)19-27-13-15-30(50)16-14-27)40(56)47-32(20-29-22-43-23-44-29)41(57)49-17-9-12-33(49)38(54)45-28(21-34(51)52)18-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,28,31-33,35-36,50H,5,9,12,17-21,42H2,1-4H3,(H,43,44)(H,45,54)(H,46,55)(H,47,56)(H,48,53)(H,51,52)/t25-,28-,31-,32-,33-,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+14	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 human recombinant APN expressed in HEK293 cells				J Med Chem 51: 2291-6 (2008) Article DOI: 10.1021/jm701490g BindingDB Entry DOI: 10.7270/Q25M68HP
					More data for this Ligand-Target Pair