BDBM92747 cyclopropyl-AMT

SMILES: Oc1c(OC(=CC2CC2)C([O-])=O)cccc1C([O-])=O

InChI Key: InChIKey=RBBOJHGNWUPRCK-UHFFFAOYSA-L

Data: 1 KI

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 = 92747   

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
Salicylate synthase (MbtI) (Mycobacterium tuberculosis)	BDBM92747 (cyclopropyl-AMT) Show SMILES Oc1c(OC(=CC2CC2)C([O-])=O)cccc1C([O-])=O |w:5.5| Show InChI InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Auckland					Assay Description The thermal stability of MbtI in the absence and presence of inhibitors was measured using a fluorescence-based thermal shift assay.				Biochemistry 51: 4868-79 (2012) Article DOI: 10.1021/bi3002067 BindingDB Entry DOI: 10.7270/Q28K77PG
					More data for this Ligand-Target Pair