Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50009870   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	Purchase CHEMBL MCE 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 BindingDB Entry DOI: 10.7270/Q29P3549
					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	Purchase CHEMBL MCE 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 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533144 (CHEMBL4593955) Show SMILES Cc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C27H23N5O2/c1-18-6-8-19(9-7-18)17-34-22-12-10-20(11-13-22)25-14-26(31-30-25)27(33)32-29-16-21-15-28-24-5-3-2-4-23(21)24/h2-16,28H,17H2,1H3,(H,30,31)(H,32,33)/b29-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533144 (CHEMBL4593955) Show SMILES Cc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C27H23N5O2/c1-18-6-8-19(9-7-18)17-34-22-12-10-20(11-13-22)25-14-26(31-30-25)27(33)32-29-16-21-15-28-24-5-3-2-4-23(21)24/h2-16,28H,17H2,1H3,(H,30,31)(H,32,33)/b29-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	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 IRAP (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate af...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	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 IRAP (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate af...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	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 Hi5 cells using L-Arginine 7-amido-4-methyl coumarin as substrate ...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50533143 (CHEMBL4458354) Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C26H20ClN5O2/c27-20-9-5-17(6-10-20)16-34-21-11-7-18(8-12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-4-2-1-3-22(19)23/h1-15,28H,16H2,(H,30,31)(H,32,33)/b29-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	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 Hi5 cells using L-Arginine 7-amido-4-methyl coumarin as substrate ...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533145 (CHEMBL4468391) Show SMILES O=C(N\N=C\c1c[nH]c2ccccc12)c1cc(n[nH]1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C26H21N5O2/c32-26(31-28-16-20-15-27-23-9-5-4-8-22(20)23)25-14-24(29-30-25)19-10-12-21(13-11-19)33-17-18-6-2-1-3-7-18/h1-16,27H,17H2,(H,29,30)(H,31,32)/b28-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50533145 (CHEMBL4468391) Show SMILES O=C(N\N=C\c1c[nH]c2ccccc12)c1cc(n[nH]1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C26H21N5O2/c32-26(31-28-16-20-15-27-23-9-5-4-8-22(20)23)25-14-24(29-30-25)19-10-12-21(13-11-19)33-17-18-6-2-1-3-7-18/h1-16,27H,17H2,(H,29,30)(H,31,32)/b28-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+4	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 ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM23971 ((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+4	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 ERAP1 expressed in African green monkey COS7 cells using aminoacyl-4-methylcoumaryl-7-amide as substrate after 15 mins by spectro...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM23971 ((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.00E+4	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 ERAP1 expressed in African green monkey COS7 cells using aminoacyl-4-methylcoumaryl-7-amide as substrate after 15 mins by spectro...				ACS Med Chem Lett 7: 681-5 (2016) Article DOI: 10.1021/acsmedchemlett.6b00084 BindingDB Entry DOI: 10.7270/Q29P3549
					More data for this Ligand-Target Pair				3D Structure (crystal)