BDBM50400182 2,3‐dihydroxyanthracene‐9,10‐dione (Ligand 2)::CHEMBL2180322

SMILES: Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O

InChI Key: InChIKey=KQSBZNJFKWOQQK-UHFFFAOYSA-N

Data: 2 KI  1 Kd  1 ITC

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 = 50400182   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50400182 (2,3‐dihydroxyanthracene‐9,10‐dio...) Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O Show InChI InChI=1S/C14H8O4/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,15-16H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to Mcl-1 after 30 mins by florescence polarization assay				J Med Chem 55: 10735-41 (2012) Article DOI: 10.1021/jm301504b BindingDB Entry DOI: 10.7270/Q26Q1ZCM
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50400182 (2,3‐dihydroxyanthracene‐9,10‐dio...) Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O Show InChI InChI=1S/C14H8O4/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,15-16H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 after 30 mins by florescence polarization assay				J Med Chem 55: 10735-41 (2012) Article DOI: 10.1021/jm301504b BindingDB Entry DOI: 10.7270/Q26Q1ZCM
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327) (Homo sapiens (Human))	BDBM50400182 (2,3‐dihydroxyanthracene‐9,10‐dio...) Show SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2cc1O Show InChI InChI=1S/C14H8O4/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,15-16H	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.85E+3	n/a	n/a	n/a	8.0	25
Dalian University of Technology					Assay Description ITC experiments were carried out using iTC200 (Microcal LLC, Northampton, MA, USA) with each of the compounds 1-6 and Mcl-1 protein. The heat of rea...				Chem Biol Drug Des 82: 394-400 (2013) Article DOI: 10.1111/cbdd.12161 BindingDB Entry DOI: 10.7270/Q2NZ869Q
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50400182

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Induced myeloid leukemia cell differentiation protein Mcl-1 (aa 172-327) (Homo sapiens (Human))	BDBM50400182 (2,3‐dihydroxyanthracene‐9,10‐dio...)	GoogleScholar PDB	PC cid PC sid		-7.86	-1.75	-6.09	5.76	8	25
Dalian University of Technology					Chem Biol Drug Des 82: 394-400 (2013)