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BDBM50037957 CHEMBL3358280

SMILES: C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H]1CCNC1

InChI Key: InChIKey=JBGPTABXBVOSBM-NWKLJZPMNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037957   
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))
BDBM50037957
PNG
(CHEMBL3358280)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1/C31H32F3N3O2/c1-3-5-23-17-25(11-8-20(23)2)29(38)37-28(30(39)36-27-14-15-35-19-27)16-21-9-12-22(13-10-21)24-6-4-7-26(18-24)31(32,33)34/h3-13,17-18,27-28,35H,14-16,19H2,1-2H3,(H,36,39)(H,37,38)/b5-3+/t27-,28-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/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