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BDBM50465591 CHEMBL4294825

SMILES: COc1cccc(c1)C(=O)N(CC1CC1)Cc1cccc(c1)-c1cn2CCCc2n1

InChI Key: InChIKey=UVWAIBUOXKRXQY-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50465591   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50465591
PNG
(CHEMBL4294825)
Show SMILES COc1cccc(c1)C(=O)N(CC1CC1)Cc1cccc(c1)-c1cn2CCCc2n1
Show InChI InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3
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PC cid
PC sid
PDB
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PDB
Article
PubMed
219n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...


J Med Chem 61: 5623-5642 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00375
BindingDB Entry DOI: 10.7270/Q2KD21KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)