BDBM50519953 CHEMBL2140832

SMILES: COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=NDYXAJZYGMHQDN-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 = 50519953   

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))	BDBM50519953 (CHEMBL2140832) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.80E+3	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))	BDBM50519953 (CHEMBL2140832) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 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))	BDBM50519953 (CHEMBL2140832) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Aminopeptidase (Homo sapiens (Human))	BDBM50519953 (CHEMBL2140832) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-12-14(20(21,22)23)6-7-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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