BDBM50510237 CHEMBL4474022

SMILES: COc1cccc(c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1

InChI Key: InChIKey=OHKNHQPNHFCKKF-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 = 50510237   

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))	BDBM50510237 (CHEMBL4474022) Show SMILES COc1cccc(c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.11E+3	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 TOP1 in human MCF7 cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium brom...				J Med Chem 62: 3428-3446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01938
					More data for this Ligand-Target Pair
DNA topoisomerase I (Homo sapiens (Human))	BDBM50510237 (CHEMBL4474022) Show SMILES COc1cccc(c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-5-2-4-17(12-19)18-6-7-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-8-3-10-30-11-9-25-15-30/h2,4-7,9,11-16H,3,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	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