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SMILES: CCCc1[nH]nc2oc(=O)c3ccccc3c12

InChI Key: InChIKey=URRDWILHXUGXPV-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198438   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Protein polybromo-1


(Homo sapiens (Human))		BDBM50198438
PNG
(CHEMBL3904183)
Show SMILES CCCc1[nH]nc2oc(=O)c3ccccc3c12
Show InChI InChI=1S/C13H12N2O2/c1-2-5-10-11-8-6-3-4-7-9(8)13(16)17-12(11)15-14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 3.30E+3n/an/an/an/an/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