BDBM50500633 CHEMBL3753770

SMILES: Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)c2c1

InChI Key: InChIKey=ITWNOUZZGFFRAQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50500633   

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
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500633 (CHEMBL3753770) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)c2c1 Show InChI InChI=1S/C27H21ClN4S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)32-25)29-19-11-13-21(14-12-19)31-27(33)30-20-9-7-18(28)8-10-20/h2-16H,1H3,(H,29,32)(H2,30,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair