BDBM50415628 CHEMBL1077582

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

InChI Key: InChIKey=HQEOEKZNWMXPAE-UQWHTAPSSA-N

Data: 3 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 3 hits for monomerid = 50415628   

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))	BDBM50415628 (CHEMBL1077582) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C42H54N6O8/c1-5-26(4)37(47-39(52)33(19-28-15-17-31(49)18-16-28)45-38(51)32(22-43)25(2)3)40(53)46-34-21-29-13-9-10-14-30(29)23-48(41(34)54)24-36(50)44-35(42(55)56)20-27-11-7-6-8-12-27/h6-18,25-26,32-35,37,49H,5,19-24,43H2,1-4H3,(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H,55,56)/t26-,32-,33-,34-,35-,37-/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	12.6	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
Angiotensin II receptor (Homo sapiens (Human))	BDBM50415628 (CHEMBL1077582) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C42H54N6O8/c1-5-26(4)37(47-39(52)33(19-28-15-17-31(49)18-16-28)45-38(51)32(22-43)25(2)3)40(53)46-34-21-29-13-9-10-14-30(29)23-48(41(34)54)24-36(50)44-35(42(55)56)20-27-11-7-6-8-12-27/h6-18,25-26,32-35,37,49H,5,19-24,43H2,1-4H3,(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H,55,56)/t26-,32-,33-,34-,35-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]valsartan from human recombinant AT1 receptor expressed in CHO cells after 40 mins by liquid scintillation counting				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))	BDBM50415628 (CHEMBL1077582) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C42H54N6O8/c1-5-26(4)37(47-39(52)33(19-28-15-17-31(49)18-16-28)45-38(51)32(22-43)25(2)3)40(53)46-34-21-29-13-9-10-14-30(29)23-48(41(34)54)24-36(50)44-35(42(55)56)20-27-11-7-6-8-12-27/h6-18,25-26,32-35,37,49H,5,19-24,43H2,1-4H3,(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H,55,56)/t26-,32-,33-,34-,35-,37-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+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