BindingDB logo
myBDB logout

BDBM24152 3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido::thiophene containing compound, 15

SMILES: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12

InChI Key: InChIKey=NZTHBWHANVWSRX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 24152   
Target
(Institution)
LigandTarget
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
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24152
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)