BDBM163681 3-Chloro‐N'‐[(1E)‐(4‐fluorophenyl)methylidene]‐1‐ benzothiophene‐2‐carbohydrazide (0167)

SMILES: Fc1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)cc1

InChI Key: InChIKey=HKDJTVMYSCJBFN-DJKKODMXSA-N

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 = 163681   

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
8-Oxoguanine DNA glycosylase-1 (OGG1) (Homo sapiens (Human))	BDBM163681 (3-Chloro‐N'‐[(1E)‐(4‐f...) Show SMILES Fc1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C16H10ClFN2OS/c17-14-12-3-1-2-4-13(12)22-15(14)16(21)20-19-9-10-5-7-11(18)8-6-10/h1-9H,(H,20,21)/b19-9+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	7.5	37
Oregon Health & Science University					Assay Description A total of 4 µL of OGG1 (125 nM) was mixed with 1 µL of inhibitor. In a separate tube, 1 µL of freshly prepared 10 mM NaBH3CN (diluted in H2O) was mi...				ACS Chem Biol 10: 2334-43 (2015) Article DOI: 10.1021/acschembio.5b00452 BindingDB Entry DOI: 10.7270/Q22F7M6H
					More data for this Ligand-Target Pair
8-Oxoguanine DNA glycosylase-1 (OGG1) (Homo sapiens (Human))	BDBM163681 (3-Chloro‐N'‐[(1E)‐(4‐f...) Show SMILES Fc1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)cc1 Show InChI InChI=1S/C16H10ClFN2OS/c17-14-12-3-1-2-4-13(12)22-15(14)16(21)20-19-9-10-5-7-11(18)8-6-10/h1-9H,(H,20,21)/b19-9+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health & Science University					Assay Description Gel-based assays were performed by combining 4 µL of OGG1 (62.5 nM) with 1 µL of inhibitor or buffer. Substrate (5 µL, 50 nM) was added to bring the ...				ACS Chem Biol 10: 2334-43 (2015) Article DOI: 10.1021/acschembio.5b00452 BindingDB Entry DOI: 10.7270/Q22F7M6H
					More data for this Ligand-Target Pair