BDBM81248 7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quinoline-5,8-quinone::7-[2-(3,5-dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione::7-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethylamino]quinoline-5,8-dione::MLS002702211::SMR001565774::cid_381594

SMILES: Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12

InChI Key: InChIKey=NKWFSWJBTHPLIV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 81248   

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
serum albumin precursor (Bos taurus)	BDBM81248 (7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quin...) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2RX99Q9
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM81248 (7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quin...) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
TCRAV4S1 (Homo sapiens (Human))	BDBM81248 (7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quin...) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2WQ02FK
					More data for this Ligand-Target Pair