BDBM50388544 CHEMBL2057323

SMILES: O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O

InChI Key: InChIKey=LNUSUIGEDBJTHT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50388544   

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
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388544 (CHEMBL2057323) Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis				J Med Chem 58: 3188-208 (2015) Article DOI: 10.1021/acs.jmedchem.5b00136 BindingDB Entry DOI: 10.7270/Q2P55Q78
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388544 (CHEMBL2057323) Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388544 (CHEMBL2057323) Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388544 (CHEMBL2057323) Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by ...				J Med Chem 58: 3997-4015 (2015) Article DOI: 10.1021/acs.jmedchem.5b00303 BindingDB Entry DOI: 10.7270/Q2DN46S6
					More data for this Ligand-Target Pair