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BDBM50037966 CHEMBL3358271

SMILES: CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)NCCN(C)C

InChI Key: InChIKey=YDGPTQNAUYPLFV-FQKVKQEKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037966   
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))
BDBM50037966
PNG
(CHEMBL3358271)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)NCCN(C)C |r|
Show InChI InChI=1/C28H33F3N4O3S/c1-5-7-20-16-25(39-18(20)2)27(37)34-24(26(36)32-12-13-35(3)4)14-19-10-11-23(33-17-19)21-8-6-9-22(15-21)38-28(29,30)31/h6,8-11,15-17,24H,5,7,12-14H2,1-4H3,(H,32,36)(H,34,37)/t24-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 500n/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