BDBM203861 (5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophenyl)ethenyl] benzenesulfonic acid disodium salt (Compound 22)::NSC 378144

SMILES: CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O

InChI Key: InChIKey=JHOKKBDKGXRSTJ-DUXPYHPUSA-L

Data: 2 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 2 hits for monomerid = 203861   

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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM203861 ((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...) Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human APE1 using double-stranded DNA as substrate preincubated for 15 mins followed by substrate addition measured at 1 min...				Bioorg Med Chem 25: 2531-2544 (2017) Article DOI: 10.1016/j.bmc.2017.01.028 BindingDB Entry DOI: 10.7270/Q2P55R4B
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM203861 ((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...) Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	n/a
Universidade de Lisboa					Assay Description In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...				Chem Biol Drug Des 88: 915-925 (2016) Article DOI: 10.1111/cbdd.12826 BindingDB Entry DOI: 10.7270/Q2Q52NGR
					More data for this Ligand-Target Pair