BDBM50257105 CHEMBL4064072

SMILES: COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12

InChI Key: InChIKey=GBNSKQWRSBCCAG-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 = 50257105   

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 2 (Homo sapiens (Human))	BDBM50257105 (CHEMBL4064072) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H22ClN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human TDP2 using 3'-labeled alpha-[32P]-cordycepin as substrate after 15 mins				J Med Chem 60: 5364-5376 (2017) Article DOI: 10.1021/acs.jmedchem.6b01870 BindingDB Entry DOI: 10.7270/Q290266B
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50257105 (CHEMBL4064072) Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H22ClN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine as substrate after 15 mins...				J Med Chem 60: 5364-5376 (2017) Article DOI: 10.1021/acs.jmedchem.6b01870 BindingDB Entry DOI: 10.7270/Q290266B
					More data for this Ligand-Target Pair