BDBM50397316 CHEMBL2170125

SMILES: OC1=NC(=S)C(S1)=Cc1ccc(O)cc1O

InChI Key: InChIKey=NKGRNXHBKJUSBO-UHFFFAOYSA-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 = 50397316   

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
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50397316 (CHEMBL2170125) Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)cc1O |w:7.8,t:1| Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(7(13)4-6)3-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...				J Med Chem 55: 8671-84 (2012) Article DOI: 10.1021/jm3008773 BindingDB Entry DOI: 10.7270/Q2MP54D1
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50397316 (CHEMBL2170125) Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)cc1O |w:7.8,t:1| Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(7(13)4-6)3-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...				J Med Chem 55: 8671-84 (2012) Article DOI: 10.1021/jm3008773 BindingDB Entry DOI: 10.7270/Q2MP54D1
					More data for this Ligand-Target Pair