BDBM50529330 CHEMBL4527760

SMILES: CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

InChI Key: InChIKey=ZWCJCHLBYMDNAF-XCZPVHLTSA-N

Data: 3 KI  3 IC50

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 6 hits for monomerid = 50529330   

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))	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant ERAP2 expressed in baculovirus infected sf9 cells using R-AMC as substrate incubated for 5 to 10 mins by ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant IRAP expressed in baculovirus infected sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by M...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant ERAP1 expressed in baculovirus infected sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by f...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Homo sapiens)	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant IRAP expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by fl...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50529330 (CHEMBL4527760) Show SMILES CCCC[C@H](N)C(=O)NNc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-26(32)30(38)36-35-24-16-14-22(15-17-24)29(37)34-28(31(39)40-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33,35H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,36,38)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Centre for Scientific Research "Demokritos" Curated by ChEMBL					Assay Description Inhibition of human recombinant ERAP2 expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by f...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115177
					More data for this Ligand-Target Pair