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BDBM50037967 CHEMBL3358270

SMILES: CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1

InChI Key: InChIKey=PMTLKNOARSHUJB-DCJNBRHWNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037967   
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))
BDBM50037967
PNG
(CHEMBL3358270)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1/C28H31F3N4O3S/c1-3-5-19-14-25(39-17(19)2)27(37)35-24(26(36)34-21-10-11-32-16-21)12-18-8-9-23(33-15-18)20-6-4-7-22(13-20)38-28(29,30)31/h4,6-9,13-15,21,24,32H,3,5,10-12,16H2,1-2H3,(H,34,36)(H,35,37)/t21-,24-/s2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/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