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BDBM50209229 (S)-2-(3-(2,2-difluoroethylamino)propyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide::CHEMBL232258

SMILES: CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)F)c1ccccc1)c1cc(F)ccc1F

InChI Key: InChIKey=FABJHXUHHLBSSV-DEOSSOPVSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209229   
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 1


(Homo sapiens (Human))
BDBM50209229
PNG
((S)-2-(3-(2,2-difluoroethylamino)propyl)-4-(2,5-di...)
Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)F)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C24H27F4N3O/c1-30(2)23(32)31-16-17(20-13-19(25)9-10-21(20)26)14-24(31,18-7-4-3-5-8-18)11-6-12-29-15-22(27)28/h3-5,7-10,13-14,22,29H,6,11-12,15-16H2,1-2H3/t24-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 2697-702 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.006
BindingDB Entry DOI: 10.7270/Q26Q1WXZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)