BDBM11992 3-(5-{[(4Z)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid::chemical diversity library compound 17

SMILES: OC(=O)c1cccc(c1)-c1ccc(C=C2C(=O)NN(C2=O)c2cccc(Cl)c2)o1

InChI Key: InChIKey=TZBRWOWKBPIABI-UHFFFAOYSA-N

Data: 1 KI  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 = 11992   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM11992 (3-(5-{[(4Z)-1-(3-chlorophenyl)-3,5-dioxopyrazolidi...) Show SMILES OC(=O)c1cccc(c1)-c1ccc(C=C2C(=O)NN(C2=O)c2cccc(Cl)c2)o1 |w:13.13| Show InChI InChI=1S/C21H13ClN2O5/c22-14-5-2-6-15(10-14)24-20(26)17(19(25)23-24)11-16-7-8-18(29-16)12-3-1-4-13(9-12)21(27)28/h1-11H,(H,23,25)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	-7.06	1.39E+4	n/a	n/a	n/a	n/a	7.2	27
Montana State University					Assay Description For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...				J Med Chem 49: 5232-44 (2006) Article DOI: 10.1021/jm0605132 BindingDB Entry DOI: 10.7270/Q20C4T19
					More data for this Ligand-Target Pair