BDBM50505830 CHEMBL4474912

SMILES: Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1

InChI Key: InChIKey=FOXYYCJUQCUSPX-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50505830   

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
Topoisomerase I/II (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP additio...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065
					More data for this Ligand-Target Pair
Topoisomerase I/II (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal tra...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065
					More data for this Ligand-Target Pair
Topoisomerase I/II (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal tran...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065
					More data for this Ligand-Target Pair
Topoisomerase I/II (Homo sapiens (Human))	BDBM50505830 (CHEMBL4474912) Show SMILES Oc1c(NC(=O)CCN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C24H23N3O4/c28-22(8-10-27-11-13-30-14-12-27)26-19-6-5-18-17(7-9-25-23(18)24(19)29)21-15-16-3-1-2-4-20(16)31-21/h1-7,9,15,29H,8,10-14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by...				J Med Chem 62: 10182-10203 (2019) Article DOI: 10.1021/acs.jmedchem.9b01065
					More data for this Ligand-Target Pair