BDBM50519957 CHEMBL4586487

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

InChI Key: InChIKey=IKYQZCFHBRXCIV-UHFFFAOYSA-N

Data: 4 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 = 50519957   

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))	BDBM50519957 (CHEMBL4586487) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(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	4.30E+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
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519957 (CHEMBL4586487) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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 mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				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))	BDBM50519957 (CHEMBL4586487) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(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	3.60E+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
Aminopeptidase (Homo sapiens (Human))	BDBM50519957 (CHEMBL4586487) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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 ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-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