BDBM50505831 CHEMBL4454056

SMILES: Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1

InChI Key: InChIKey=MEVMAVCOYHIKDV-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 = 50505831   

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))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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
Topoisomerase I/II (Homo sapiens (Human))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+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))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+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 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))	BDBM50505831 (CHEMBL4454056) Show SMILES Oc1c(NC(=O)CN2CCOCC2)ccc2c(ccnc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C23H21N3O4/c27-21(14-26-9-11-29-12-10-26)25-18-6-5-17-16(7-8-24-22(17)23(18)28)20-13-15-3-1-2-4-19(15)30-20/h1-8,13,28H,9-12,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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