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BDBM50037888 CHEMBL3358266

SMILES: CCc1cccc(c1)-c1ccc(CC(NC(=O)c2ccc(OC)c(COC)c2)C(=O)NCCN(C)C)cc1

InChI Key: InChIKey=FHGWYOLZGNZKKZ-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037888   
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
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037888
PNG
(CHEMBL3358266)
Show SMILES CCc1cccc(c1)-c1ccc(CC(NC(=O)c2ccc(OC)c(COC)c2)C(=O)NCCN(C)C)cc1
Show InChI InChI=1/C31H39N3O4/c1-6-22-8-7-9-25(18-22)24-12-10-23(11-13-24)19-28(31(36)32-16-17-34(2)3)33-30(35)26-14-15-29(38-5)27(20-26)21-37-4/h7-15,18,20,28H,6,16-17,19,21H2,1-5H3,(H,32,36)(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair