BDBM50382354 CHEMBL2024253

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

InChI Key: InChIKey=UYSCCJDWKFPZAD-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 = 50382354   

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)	BDBM50382354 (CHEMBL2024253) Show SMILES C[C@H](NC(CC(=O)c1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)19-16(18(21)22)12-17(20)15-10-6-3-7-11-15/h2-11,13,16,19H,12H2,1H3,(H,21,22)/t13-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.27E+4	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)	BDBM50382354 (CHEMBL2024253) Show SMILES C[C@H](NC(CC(=O)c1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)19-16(18(21)22)12-17(20)15-10-6-3-7-11-15/h2-11,13,16,19H,12H2,1H3,(H,21,22)/t13-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	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