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BDBM24054 (2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide::dihydropyrrole, 13

SMILES: [H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)c1cc(F)ccc1F)c1ccccc1

InChI Key: InChIKey=NKLVBHMAIMEVEH-QFIPXVFZSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 24054   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24054
PNG
((2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(p...)
Show SMILES CN(C1CCNCC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1
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MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24054
PNG
((2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(p...)
Show SMILES CN(C1CCNCC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair