BDBM50128866 2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile::CHEMBL83185

SMILES: [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O

InChI Key: InChIKey=POJAQDYLPYBBPG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50128866   

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
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM50128866 (2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...) Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM50128866 (2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...) Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair