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BDBM50037964 CHEMBL3358273

SMILES: CCOc1cc(ccc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1

InChI Key: InChIKey=SMNRBVOTAQTPMY-PRRFRYGXNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037964   
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))
BDBM50037964
PNG
(CHEMBL3358273)
Show SMILES CCOc1cc(ccc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1/C29H31F3N4O4/c1-3-39-26-15-21(9-7-18(26)2)27(37)36-25(28(38)35-22-11-12-33-17-22)13-19-8-10-24(34-16-19)20-5-4-6-23(14-20)40-29(30,31)32/h4-10,14-16,22,25,33H,3,11-13,17H2,1-2H3,(H,35,38)(H,36,37)/t22-,25-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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