BDBM50076744 CHEMBL3416733

SMILES: CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key:

Data: 11 IC50

PDB links: 2 PDB IDs match this monomer.

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 11 hits for monomerid = 50076744   

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
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research"Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...				J Med Chem 58: 1524-43 (2015) Article DOI: 10.1021/jm501867s BindingDB Entry DOI: 10.7270/Q2Z321B0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research"Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...				J Med Chem 58: 1524-43 (2015) Article DOI: 10.1021/jm501867s BindingDB Entry DOI: 10.7270/Q2Z321B0
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research"Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...				J Med Chem 58: 1524-43 (2015) Article DOI: 10.1021/jm501867s BindingDB Entry DOI: 10.7270/Q2Z321B0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis				Bioorg Med Chem Lett 26: 4122-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.062 BindingDB Entry DOI: 10.7270/Q2TT4SW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human ERAP2 using R-AMC as substrate measured for 15 to 30 mins by microplate fluorescence reader method				Bioorg Med Chem Lett 26: 4122-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.062 BindingDB Entry DOI: 10.7270/Q2TT4SW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research Demokritos Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP1 using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader met...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of IRAP (unknown origin) expressed in HEK 293S GnTI(-) cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of ERAP1 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of ERAP2 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research Demokritos Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP1 using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader met...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50076744 (CHEMBL3416733) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research Demokritos Curated by ChEMBL					Assay Description Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus infected insect cells using L-arginine-7-amido-4-methylcoumarine as substra...				ACS Med Chem Lett 8: 333-337 (2017) Article DOI: 10.1021/acsmedchemlett.6b00505 BindingDB Entry DOI: 10.7270/Q26M390J
					More data for this Ligand-Target Pair				3D Structure (crystal)