BDBM50198448 CHEMBL3966713

SMILES: CCc1[nH]nc2oc(=O)c3ccccc3c12

InChI Key: InChIKey=MKAQORNERCMQLJ-UHFFFAOYSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198448   

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
Protein polybromo-1 (Homo sapiens (Human))	BDBM50198448 (CHEMBL3966713) Show SMILES CCc1[nH]nc2oc(=O)c3ccccc3c12 Show InChI InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method				J Med Chem 59: 8787-8803 (2016) Article DOI: 10.1021/acs.jmedchem.6b00355 BindingDB Entry DOI: 10.7270/Q2CV4KQM
					More data for this Ligand-Target Pair