BDBM50257522 CHEMBL493342::CHO793076

SMILES: CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)c1c23

InChI Key: InChIKey=NPAAFPODGAKMTC-SANMLTNESA-N

Data: 1 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 1 hit for monomerid = 50257522   

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
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50257522 (CHEMBL493342 | CHO793076) Show SMILES CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@]4(O)CC)c5=O)c1c23 |r| Show InChI InChI=1S/C26H26N4O4/c1-3-5-6-10-29-14-27-18-8-7-9-19-21(18)23(29)15-12-30-20(22(15)28-19)11-17-16(24(30)31)13-34-25(32)26(17,33)4-2/h7-9,11,14,33H,3-6,10,12-13H2,1-2H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 1				Bioorg Med Chem Lett 19: 2018-21 (2009) Article DOI: 10.1016/j.bmcl.2009.02.031 BindingDB Entry DOI: 10.7270/Q2RV0NM0
					More data for this Ligand-Target Pair