BDBM50519944 CHEMBL4456470

SMILES: CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1

InChI Key: InChIKey=NFVVPTQVHGBUAA-UHFFFAOYSA-N

Data: 1 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 4 hits for monomerid = 50519944   

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))	BDBM50519944 (CHEMBL4456470) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying le...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50519944 (CHEMBL4456470) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50519944 (CHEMBL4456470) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of ERAP1 in human HeLa cells stably expressing H-2 Kb infected with vaccinia virus containing ss-LEQLE-SIINFEKL epitope assessed as suppre...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50519944 (CHEMBL4456470) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C21H31N5O2/c1-16-6-8-18(9-7-16)23-20(22)24-21(10-4-3-5-11-21)19(28)26-14-12-25(13-15-26)17(2)27/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate mea...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293
					More data for this Ligand-Target Pair