BDBM70254 3-Chloro-1-phenyl-4-[(tetrahydro-furan-2-ylmethyl)-amino]-pyrrole-2,5-dione::3-chloranyl-4-(oxolan-2-ylmethylamino)-1-phenyl-pyrrole-2,5-dione::3-chloro-1-phenyl-4-(tetrahydrofurfurylamino)-3-pyrroline-2,5-quinone::3-chloro-4-(2-oxolanylmethylamino)-1-phenylpyrrole-2,5-dione::3-chloro-4-(oxolan-2-ylmethylamino)-1-phenylpyrrole-2,5-dione::MLS000072648::SMR000010758::cid_648306

SMILES: Oc1c(Cl)c(N=CC2CCCO2)c(O)n1-c1ccccc1

InChI Key: InChIKey=XWSAQJYKRCWPJM-UHFFFAOYSA-N

Data: 2 EC50

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 = 70254   

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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70254 (3-Chloro-1-phenyl-4-[(tetrahydro-furan-2-ylmethyl)...) Show SMILES Oc1c(Cl)c(N=CC2CCCO2)c(O)n1-c1ccccc1 |w:5.4| Show InChI InChI=1S/C15H15ClN2O3/c16-12-13(17-9-11-7-4-8-21-11)15(20)18(14(12)19)10-5-2-1-3-6-10/h1-3,5-6,9,11,19-20H,4,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70254 (3-Chloro-1-phenyl-4-[(tetrahydro-furan-2-ylmethyl)...) Show SMILES Oc1c(Cl)c(N=CC2CCCO2)c(O)n1-c1ccccc1 |w:5.4| Show InChI InChI=1S/C15H15ClN2O3/c16-12-13(17-9-11-7-4-8-21-11)15(20)18(14(12)19)10-5-2-1-3-6-10/h1-3,5-6,9,11,19-20H,4,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair