BindingDB logo
myBDB logout

null

SMILES: CC(C)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=OWCSNZLYBFTFQS-UHFFFAOYSA-N

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 = 50113719   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50113719
PNG
(2-{1-[6-(3,3-Diphenyl-propylamino)-9-isopropyl-9H-...)
Show SMILES CC(C)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C30H38N6O/c1-22(2)36-21-32-27-28(33-30(34-29(27)36)35-19-10-9-15-25(35)17-20-37)31-18-16-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,21-22,25-26,37H,9-10,15-20H2,1-2H3,(H,31,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.00E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)

J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair