BDBM50510240 CHEMBL4462070

SMILES: Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1

InChI Key: InChIKey=QPDSYUCCOUVJKY-UHFFFAOYSA-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 2 hits for monomerid = 50510240   

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 (Homo sapiens (Human))	BDBM50510240 (CHEMBL4462070) Show SMILES Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H20N6O2/c30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-26-21)23-28-27-15-31-23)25-8-1-10-29-11-9-24-14-29/h2-7,9,11-15,30H,1,8,10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA topoisomerase I (Homo sapiens (Human))	BDBM50510240 (CHEMBL4462070) Show SMILES Oc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C23H20N6O2/c30-18-5-2-16(3-6-18)17-4-7-21-19(12-17)22(20(13-26-21)23-28-27-15-31-23)25-8-1-10-29-11-9-24-14-29/h2-7,9,11-15,30H,1,8,10H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938
					More data for this Ligand-Target Pair