BindingDB logo
myBDB logout

BDBM50520138 CHEMBL4463776

SMILES: Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1F

InChI Key: InChIKey=QQLAXBUUMWUFLV-UHFFFAOYSA-N

Data: 1 Kd

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 1 hit for monomerid = 50520138   
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
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))		BDBM50520138
PNG
(CHEMBL4463776)
Show SMILES Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1F
Show InChI InChI=1S/C29H28F2N4O/c1-18-13-22(30)5-6-23(18)25-14-21(17-35-11-10-33(3)29(35)32)15-26-24(25)8-9-34(28(26)36)16-20-4-7-27(31)19(2)12-20/h4-7,10-15,32H,8-9,16-17H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a<0.0200n/an/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer...

J Med Chem 63: 656-675 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01608
More data for this
Ligand-Target Pair