BDBM50041419 1,2,5,8-tetrahydroxy-9,10-anthracenedione::1,2,5,8-tetrahydroxy-9,10-anthraquinone::1,2,5,8-tetrahydroxyanthra-9,10-quinone::1,2,5,8-tetrahydroxyanthracene-9,10-dione::1,2,5,8-tetrahydroxyanthraquinone::1,4,5,6-tetrahydroxyanthraquinone::Alizarinbordeaux::Alizarine Bordeaux B::CHEMBL29898::Quinalizarin, E::quinalizarin

SMILES: Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O

InChI Key: InChIKey=VBHKTXLEJZIDJF-UHFFFAOYSA-N

Data: 1 KI  3 IC50

PDB links: 3 PDB IDs match this monomer.

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 = 50041419   

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
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50041419 (1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...) Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin)				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111581
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50041419 (1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...) Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50041419 (1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...) Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.8	23
University of Michigan					Assay Description Enzyme activity assay using human and murine PAI-1.				J Biol Chem 285: 7892-902 (2010) Article DOI: 10.1074/jbc.M109.067967 BindingDB Entry DOI: 10.7270/Q2ZC81FC
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50041419 (1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...) Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
					More data for this Ligand-Target Pair