BDBM50382340 CHEMBL2024258

SMILES: COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O

InChI Key: InChIKey=LLIYADKMWJCWPF-KNVGNIICSA-N

Data: 2 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 2 hits for monomerid = 50382340   

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
1,4-Dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382340 (CHEMBL2024258) Show SMILES COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H21NO4/c1-13(14-8-4-3-5-9-14)20-16(19(22)23)12-17(21)15-10-6-7-11-18(15)24-2/h3-11,13,16,20H,12H2,1-2H3,(H,22,23)/t13-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupl...				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382340 (CHEMBL2024258) Show SMILES COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H21NO4/c1-13(14-8-4-3-5-9-14)20-16(19(22)23)12-17(21)15-10-6-7-11-18(15)24-2/h3-11,13,16,20H,12H2,1-2H3,(H,22,23)/t13-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupl...				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair