BDBM50044628 CHEBI:4286::CHEMBL1162148

SMILES: OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S

InChI Key: InChIKey=YSCNMFDFYJUPEF-OWOJBTEDSA-N

Data: 1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50044628   

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
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM50044628 (CHEBI:4286 | CHEMBL1162148) Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair
Cell cycle checkpoint protein RAD1 (Homo sapiens (Human))	BDBM50044628 (CHEBI:4286 | CHEMBL1162148) Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Drexel University College of Medicine Curated by ChEMBL					Assay Description Inhibition of RAD1 (unknown origin) binding to ssDNA				Bioorg Med Chem Lett 24: 3006-13 (2014) Article DOI: 10.1016/j.bmcl.2014.04.088 BindingDB Entry DOI: 10.7270/Q2NV9KW7
					More data for this Ligand-Target Pair