BDBM50247640 CHEMBL4063356

SMILES: CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)-c1ccccc1

InChI Key: InChIKey=YDARBKORYFGQMH-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50247640   

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
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50247640 (CHEMBL4063356) Show SMILES CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)-c1ccccc1 Show InChI InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ATCC 25618 H37Rv Pks13 thioesterase domain expressed in Escherichia coli BL21(DE3) using 4-MUH as substrate ...				J Med Chem 61: 1276-1284 (2018) BindingDB Entry DOI: 10.7270/Q2B27XQN
					More data for this Ligand-Target Pair				3D Structure (crystal)